SCHEMBL7703855

SCHEMBL7703855

Cc1cccc(N2C=NC(=O)C23CCN(Cc2ccccc2)CC3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.47
OPRK1 P41145 4/20 0.46
OPRL1 P41146 4/20 0.46
OPRM1 P35372 3/20 0.46
OPRD1 P41143 3/20 0.46
CHRM2 P08172 2/20 0.45
CHRM3 P20309 1/20 0.45
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SIGMAR1 Q99720 3/20 0.42
CACNA1F O60840 1/20 0.41
ADRB1 P08588 1/20 0.41
DRD2 P14416 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL7706497 0.88 OPRL1 (0.54) OPRK1OPRL1OPRM1OPRD1KMT2A
SCHEMBL7701290 0.87 LMNA (0.50) OPRK1OPRL1OPRM1OPRD1KDM4E
SCHEMBL20187032 0.87 OPRL1 (0.46) MCHR1OPRK1OPRL1OPRM1OPRD1
SCHEMBL20187015 0.84 TSHR (0.49) OPRK1OPRL1OPRM1OPRD1KMT2A
SCHEMBL16876851 0.84 RORC (0.42) MCHR1OPRK1OPRL1OPRM1OPRD1
SCHEMBL16876761 0.83 OPRL1 (0.43) OPRK1OPRL1OPRM1OPRD1KMT2A
SCHEMBL16876863 0.82 OPRL1 (0.44) MCHR1OPRK1OPRL1OPRM1OPRD1
SCHEMBL7706380 0.81 DRD4 (0.50) OPRK1OPRL1OPRM1OPRD1ALDH1A1
SCHEMBL16876893 0.81 OPRL1 (0.45) MCHR1OPRK1OPRL1OPRM1OPRD1
SCHEMBL20187195 0.81 OPRM1 (0.57) OPRK1OPRL1OPRM1OPRD1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921125-B1 1,3,8-Triazaspiro[4,5]decan-4-on derivatives HOFFMANN LA ROCHE (CH) 2002-01-30 EP disclosed
EP-1087770-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-11-14 EP disclosed
EP-1087770-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-04 EP disclosed
US-6172076-B1 HETEROCYCLE-SUBSTITUTED 1,3,8-TRIAZASPIRO(4,5)DECANE DERIVATIVES; TREATING ARTERIOSCLEROSIS MERCK & CO., INC. 2001-01-09 US disclosed
US-6043366-A USEFUL IN TREATING DISORDERS INVOLVING THE ORPHANIN FQ(A SEVENTEEN AMINO ACID LONG PEPTIDE) RECEPTOR. HOFFMAN-LA ROCHE INC. (US) 2000-03-28 US disclosed
WO-1999065494-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-12-23 WO disclosed
EP-0921125-A1 1,3,8-Triaza-spiro 4,5 decan-4-on derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP disclosed