SCHEMBL5628301

SCHEMBL5628301

CN1CCC(N2CCc3cc[c]cc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR1F P30939 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
NOS1 P29475 3/20 0.38
NOS2 P35228 3/20 0.38
NOS3 P29474 2/20 0.38
SCD O00767 13/20 0.37
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL6226807 0.83 HTR2C (0.50) HTR1BOPRM1OPRD1OPRK1OPRL1
SCHEMBL4526317 0.79
SCHEMBL2675996 0.77 OPRM1 (0.62) HTR1AHTR1DHTR1BHTR1FOPRM1
SCHEMBL1450385 0.74 ALDH1A1 (0.34)
SCHEMBL28597651 0.74 SMO (0.38)
SCHEMBL28591538 0.74 SMO (0.38)
SCHEMBL5626006 0.74 CHRM2 (0.36) HTR1AHTR1DHTR1BHTR1FCHRM2
SCHEMBL427059 0.73 SCD (0.55) HTR1AHTR1DHTR1BHTR1FOPRM1
SCHEMBL429643 0.72 HTR1D (0.50) HTR1AHTR1DHTR1BHTR1FOPRM1
SCHEMBL28599824 0.71 SMO (0.34) NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307088-B2 Substituted anthranilic amide derivatives and methods of use AMGEN INC. (US) 2007-12-11 US disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
EP-1519921-A2 SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2005-04-06 EP disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004005279-A2 SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-15 WO disclosed