SCHEMBL5370738

SCHEMBL5370738

COc1ccc2c(c1)c(C(=O)N(C)OC)cn2C(CCN1CCC(N2CCCC2)CC1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
MCHR1 Q99705 1/20 0.39
CBX7 O95931 1/20 0.38
CDYL2 Q8N8U2 1/20 0.38
CDYL Q9Y232 1/20 0.38
CNR2 P34972 1/20 0.37
OPRM1 P35372 6/20 0.37
OPRL1 P41146 6/20 0.37
ALDH1A1 P00352 2/20 0.37
TACR1 P25103 1/20 0.36
NPC1 O15118 1/20 0.35
KDM2B Q8NHM5 7/20 0.35
KDM4E B2RXH2 1/20 0.35
OPRD1 P41143 1/20 0.35

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
SCHEMBL5454585 0.82 CNR2 (0.47) HRH3CBX7CDYL2CDYLCNR2
SCHEMBL5441664 0.70 CNR2 (0.45) CNR2ALDH1A1KDM2BKDM4E
SCHEMBL5450930 0.70 CNR2 (0.48) CNR2ALDH1A1
SCHEMBL5454553 0.68 HTR2A (0.47) CNR2ALDH1A1
SCHEMBL5452683 0.67 SLC6A2 (0.53) OPRM1
SCHEMBL5446464 0.65 MAPT (0.50) CNR2ALDH1A1KDM4E
SCHEMBL5454485 0.63 ALOX15 (0.47) CNR2ALDH1A1
SCHEMBL5451215 0.63 ADRA1D (0.45) CNR2
SCHEMBL14412213 0.63 HTR1A (0.51) CNR2ALDH1A1
Hydrochloric Acid SCHEMBL5448668 0.62 ADRA1D (0.47) CNR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 WO disclosed