SCHEMBL302945

SCHEMBL302945

CN(C)C1(c2ccccc2)CCC(CC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)CC1.CN(C)C1(c2ccccc2)CCC(CC(=O)NCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.55
OPRM1 P35372 3/20 0.55
POLB P06746 2/20 0.49
ITGB2 P05107 2/20 0.49
ICAM1 P05362 2/20 0.49
ITGAL P20701 2/20 0.49
TP53 P04637 1/20 0.49
KMT2A Q03164 1/20 0.49
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ACE P12821 4/20 0.48
P2RY14 Q15391 1/20 0.47
ECE1 P42892 1/20 0.47

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
SCHEMBL3369086 0.95 OPRL1 (0.56) OPRL1OPRM1POLBITGB2ICAM1
SCHEMBL2378435 0.91 OPRL1 (0.66) OPRL1OPRM1
Hydrochloric Acid SCHEMBL2378517 0.90 OPRL1 (0.65) OPRL1OPRM1
SCHEMBL2378945 0.88 KMT2A (0.57) OPRL1OPRM1TP53KMT2AMAPT
SCHEMBL2380119 0.88 KMT2A (0.57) OPRL1OPRM1TP53KMT2AMAPT
Potassium SCHEMBL2378910 0.87 KMT2A (0.56) OPRL1OPRM1TP53KMT2AMAPT
SCHEMBL2378906 0.87 KMT2A (0.56) OPRL1OPRM1TP53KMT2AMAPT
Potassium Ion SCHEMBL2379644 0.87 OPRL1 (0.53) OPRL1OPRM1ITGB2ICAM1ITGAL
Hydrochloric Acid SCHEMBL302554 0.87 KMT2A (0.56) OPRL1OPRM1TP53KMT2AMAPT
Hydrochloric Acid SCHEMBL2378939 0.87 KMT2A (0.56) OPRL1OPRM1TP53KMT2AMAPT

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
JP-4852536-B2 2012-01-11 JP claimed
EP-1751093-A1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES Grünenthal GmbH (DE) 2007-02-14 EP claimed
WO-2005110976-A1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 WO claimed