SCHEMBL7328368

SCHEMBL7328368

CCCCNCC1CCNCC1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 9/20 0.83
GNAI3 P08754 8/20 0.83
GNAI1 P63096 8/20 0.83
SAT1 P21673 1/20 0.52
EPHX1 P07099 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
ALOX15 P16050 2/20 0.41
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
TSHR P16473 2/20 0.39
FLT3 P36888 2/20 0.38
TYRO3 Q06418 2/20 0.38
MERTK Q12866 2/20 0.38
GAS6 Q14393 2/20 0.38
AXL P30530 1/20 0.38

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
SCHEMBL3687401 0.94 GNAO1 (0.93) GNAO1GNAI3GNAI1SAT1EPHX1
SCHEMBL2839904 0.92 GNAO1 (0.96) GNAO1GNAI3GNAI1SAT1EPHX1
SCHEMBL3652066 0.92 GNAO1 (0.96) GNAO1GNAI3GNAI1SAT1EPHX1
SCHEMBL13772115 0.88 GNAO1 (0.70) GNAO1GNAI3GNAI1SAT1EPHX1
SCHEMBL5963013 0.87 GNAI3 (0.75) GNAO1GNAI3GNAI1SAT1EPHX1
SCHEMBL1678483 0.85
SCHEMBL8135765 0.83 GNAO1 (0.75) GNAO1GNAI3GNAI1SAT1EPHX1
Hydrochloric Acid SCHEMBL7433088 0.83 SAT1 (0.65) GNAO1GNAI3GNAI1SAT1TSHR
SCHEMBL24062846 0.81 SAT1 (0.57) GNAO1GNAI3GNAI1SAT1EPHX1
SCHEMBL11922714 0.81 SAT1 (0.57) GNAO1GNAI3GNAI1SAT1EPHX1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927163-A1 PREPARATION OF 1-BUTYL-4-PIPERIDINYLMETHYLAMINE SMITHKLINE BEECHAM PLC (GB) 1999-07-07 EP claimed
WO-1998011067-A1 PREPARATION OF 1-BUTYL-4-PIPERIDINYLMETHYLAMINE SMITHKLINE BEECHAM P.L.C. (GB) 1998-03-19 WO claimed
US-6100397-A Process for the preparation of N-[(1-n butyl-4-piperidyl)methyl]-3,4-dihydro-2H-[1,3]oxazino[3,2-a] indole-10-carboxamide and salts and intermediates in the process SMITHKLINE BEECHAM PLC (GB) 2000-08-08 US disclosed
EP-0927163-A1 PREPARATION OF 1-BUTYL-4-PIPERIDINYLMETHYLAMINE SMITHKLINE BEECHAM PLC (GB) 1999-07-07 EP disclosed
CN-1043893-C Pharmaceuticals SMITHKLINE BEECHAM PLC (GB) 1999-06-30 CN disclosed
EP-0922048-A1 PROCESS FOR THE PREPARATION OF N- (1-?n BUTYL-4-PIPERIDYL)METHYL] -3,4-DIHYDRO -2H- 1,3] OXAZINO 3,2-a] INDOLE-10-CARBOXAMIDE AND SALTS AND INTERMEDIATES IN THE PROCESS SMITHKLINE BEECHAM PLC (GB) 1999-06-16 EP disclosed
WO-1998011067-A1 PREPARATION OF 1-BUTYL-4-PIPERIDINYLMETHYLAMINE SMITHKLINE BEECHAM P.L.C. (GB) 1998-03-19 WO disclosed
WO-1998007728-A1 PROCESS FOR THE PREPARATION OF N-[(1-nBUTYL-4-PIPERIDYL)METHYL] -3,4-DIHYDRO -2H-[1,3] OXAZINO[3,2-a] INDOLE-10-CARBOXAMIDE AND SALTS AND INTERMEDIATES IN THE PROCESS SMITHKLINE BEECHAM PLC (GB) 1998-02-26 WO disclosed
EP-0664806-A1 HETEROCYCLIC CONDENSED BENZOIC ACID DERIVATIVES AS 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-08-02 EP disclosed
CN-1092421-A Medicine SMITHKLINE BEECHAM PLC (GB) 1994-09-21 CN disclosed
EP-0600955-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-06-15 EP disclosed
WO-1994008995-A1 HETEROCYCLIC CONDENSED BENZOIC ACID DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-28 WO disclosed
CN-1078471-A Medicine SMITHKLINE BEECHAM PLC (GB) 1993-11-17 CN disclosed
WO-1993003725-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-03-04 WO disclosed