SCHEMBL6876274

SCHEMBL6876274

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)CCC3CCCCC3)CC2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
OPRL1 P41146 1/20 0.50
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MCHR1 Q99705 2/20 0.47
HPGD P15428 1/20 0.44
RXFP1 Q9HBX9 6/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.42
IGSF11 Q5DX21 1/20 0.42
SMYD3 Q9H7B4 1/20 0.41
LDLR P01130 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADRA2A P08913 1/20 0.41
EPHX1 P07099 1/20 0.40
APOBEC3A P31941 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
SCHEMBL6876279 1.00 OPRM1 (0.50) OPRM1OPRL1KDM4ELMNASMN1; SMN2
SCHEMBL6880147 0.89 MCHR1 (0.49) KDM4ELMNASMN1; SMN2MCHR1RXFP1
SCHEMBL27652810 0.89 MCHR1 (0.49) KDM4ELMNASMN1; SMN2MCHR1RXFP1
SCHEMBL6875053 0.85 MCHR1 (0.49) KDM4ELMNASMN1; SMN2MCHR1SMYD3
SCHEMBL6875056 0.85 MCHR1 (0.49) KDM4ELMNASMN1; SMN2MCHR1SMYD3
SCHEMBL6876994 0.85 KDM4E (0.50) KDM4EMCHR1HPGDALDH1A1ADRA2A
SCHEMBL6877000 0.85 KDM4E (0.50) KDM4EMCHR1HPGDALDH1A1ADRA2A
SCHEMBL6872998 0.84 MCHR1 (0.51) OPRM1OPRL1KDM4ELMNASMN1; SMN2
SCHEMBL6872993 0.84 MCHR1 (0.51) OPRM1OPRL1KDM4ELMNASMN1; SMN2
SCHEMBL6868813 0.83 KDM4E (0.52) KDM4ELMNASMN1; SMN2MCHR1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN disclosed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed