SCHEMBL5718059

SCHEMBL5718059

CCN(CCO)C(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccccc1.NC(=O)[C@@H](NC(=O)O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 11/20 0.40
ATM Q13315 1/20 0.38
GCGR P47871 4/20 0.35
GIPR P48546 4/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 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
SCHEMBL5718052 0.91 STAT3 (0.39) STAT3GCGRGIPR
SCHEMBL5717936 0.87 STAT3 (0.43) STAT3ATMGCGRGIPR
Bicarbonate SCHEMBL5718071 0.86 STAT3 (0.46) STAT3ATMCNR1CNR2
SCHEMBL5717933 0.83 SMN1; SMN2 (0.45) STAT3OPRM1
Bicarbonate SCHEMBL5718168 0.78 STAT3 (0.46) STAT3CNR1CNR2
SCHEMBL5718063 0.77 UBE2M (0.43) STAT3OPRM1OPRK1UBE2MDCUN1D1
SCHEMBL5718048 0.76 PRCP (0.36) CNR1CNR2
SCHEMBL5718068 0.74 ATM (0.40) ATMCNR1CNR2
SCHEMBL5717968 0.72 KCNQ3 (0.48) STAT3ATM
SCHEMBL5717966 0.70 FFAR4 (0.41) OPRM1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318977-B1 SUBSTITUTED PHENYLCYCLOHEXANE CARBOXYLIC ACID AMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-12-06 EP claimed
EP-1318977-B1 SUBSTITUTED PHENYLCYCLOHEXANE CARBOXYLIC ACID AMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-12-06 EP disclosed