SCHEMBL7986574

SCHEMBL7986574

O=CC1CN([C@@H](C(=O)O)c2ccccc2Cl)C[C@@H]1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
OPRM1 P35372 5/20 0.35
OPRL1 P41146 4/20 0.35
ABCB11 O95342 2/20 0.35
OPRK1 P41145 2/20 0.35
THRB P10828 1/20 0.35
NR1I2 O75469 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2B6 P20813 1/20 0.35
DRD1 P21728 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2B P41595 1/20 0.35
KCNH2 Q12809 1/20 0.35
P2RY12 Q9H244 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
SCHEMBL7972727 1.00 MEN1 (0.36) MEN1KMT2AITGB3ITGA2BOPRM1
SCHEMBL7497904 1.00 MEN1 (0.36) MEN1KMT2AITGB3ITGA2BOPRM1
SCHEMBL7492543 0.83 CYP2C9 (0.36) CYP2C19CCR5ALDH1A1HTTCYP2C9
SCHEMBL7986267 0.83 CYP2C9 (0.36) CYP2C19CCR5ALDH1A1HTTCYP2C9
SCHEMBL7495961 0.83 LMNA (0.49) MEN1KMT2ACYP2C19KCNH2CCR5
SCHEMBL7931908 0.83 LMNA (0.49) MEN1KMT2ACYP2C19KCNH2CCR5
SCHEMBL7488769 0.80 CCR5 (0.41) MEN1KMT2AITGB3ITGA2BOPRM1
SCHEMBL7973519 0.80 CCR5 (0.41) MEN1KMT2AITGB3ITGA2BOPRM1
SCHEMBL7973894 0.80 CCR5 (0.41) MEN1KMT2AITGB3ITGA2BOPRM1
SCHEMBL7497446 0.76 HRH3 (0.44) SLC6A4KCNH2CCR5HTTSMN1; SMN2

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
US-6265434-B1 ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2001-07-24 US disclosed