SCHEMBL1814949

SCHEMBL1814949

O=C1CNCCN1c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.56
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
ALOX5 P09917 2/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
P2RX7 Q99572 3/20 0.43
CYBB P04839 2/20 0.41
NOX5 Q96PH1 2/20 0.41
NOX4 Q9NPH5 2/20 0.41
NOX1 Q9Y5S8 2/20 0.41
MGLL Q99685 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
HSD11B1 P28845 1/20 0.40
NOTUM Q6P988 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL1663296 0.98 ADRB1 (0.54) ADRB1SLC6A2SLC6A4SLC6A3ALOX5
SCHEMBL13664702 0.90 SLC6A2 (0.58) ADRB1SLC6A2SLC6A4SLC6A3ALOX5
SCHEMBL19357378 0.81 SLC6A4 (0.48) ADRB1SLC6A2SLC6A4SLC6A3DRD2
SCHEMBL31537000 0.81 SLC6A4 (0.51) ADRB1SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL23064632 0.80 MGLL (0.41) ADRB1SLC6A2SLC6A4SLC6A3P2RX7
SCHEMBL31176347 0.80 ADRB1 (0.54) ADRB1ALOX5P2RX7MGLLHTR2A
SCHEMBL30734147 0.80 MEN1 (0.58) SLC6A2SLC6A4SLC6A3P2RX7MGLL
SCHEMBL1583869 0.80 MEN1 (0.58) SLC6A2SLC6A4SLC6A3P2RX7MGLL
SCHEMBL3653056 0.80 ADRB1 (0.54) ADRB1ALOX5P2RX7MGLLHTR2A
SCHEMBL3654179 0.80 P2RX7 (0.52) SLC6A2SLC6A4SLC6A3P2RX7HSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904080-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-01 EP claimed
EP-0904080-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-03-31 EP claimed
WO-1997036592-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO claimed
EP-2501704-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2012-09-26 EP disclosed
EP-2501703-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2012-09-26 EP disclosed
WO-2011060035-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 WO disclosed
WO-2011060217-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 WO disclosed
EP-2254865-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF ORGANIX, INC. (US) 2010-12-01 EP disclosed
WO-2009102805-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF ORGANIX INC. (US) 2009-08-20 WO disclosed
EP-1926712-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2008-06-04 EP disclosed
EP-1924578-A2 6-N-LINKED HETEROCYCLE-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2008-05-28 EP disclosed
EP-1286967-B1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME (GB) 2006-09-27 EP disclosed
US-7105507-B2 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
EP-1286967-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2003-03-05 EP disclosed
WO-2002036596-A2 CYCLOALKYL[b][1,4]DIAZEPINO[6,7,1-hi]INDOLES AND DERIVATIVES WYETH (US) 2002-05-10 WO disclosed
WO-2001087838-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 WO disclosed
EP-0904080-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-01 EP disclosed
EP-0904080-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-03-31 EP disclosed
US-5859015-A N-heterocyclic piperazinyl and H-heterocyclic piperazinonyl inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-01-12 US disclosed
WO-1997036592-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed