SCHEMBL27844993

SCHEMBL27844993

CC(=O)Oc1ccc(F)c2c1c1c(n2Cc2ccccc2)CCCC1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 6/20 0.37
FABP3 P05413 1/20 0.37
POLB P06746 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTR6 P50406 2/20 0.35
TSPO P30536 2/20 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
SCHEMBL6691723 0.91 TSPO (0.44) FABP4FABP3HTR6TSPO
SCHEMBL6129588 0.90 FABP4 (0.36) FABP4FABP3OPRM1OPRK1KCNH2
SCHEMBL27845011 0.90 FABP4 (0.37) FABP4FABP3POLBHTR6TSPO
SCHEMBL27844976 0.90 FABP4 (0.39) FABP4FABP3POLBOPRM1OPRK1
SCHEMBL29862385 0.88 PLA2G2A (0.47)
SCHEMBL818609 0.88 PLA2G2A (0.47)
SCHEMBL27594802 0.88 FABP4 (0.36) FABP4FABP3OPRM1OPRK1KCNH2
SCHEMBL8371555 0.86 PLA2G2A (0.46)
SCHEMBL8374848 0.86 FABP4 (0.41) FABP4FABP3HTR6
SCHEMBL27845033 0.85 TSPO (0.45) HTR6TSPO

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
CN-102271507-A Secreted phospholipase A2(SPLA2) Inhibitor and niacin pharmaceutical composition and method for treating cardiovascular diseases and dyslipidemia 2011-12-07 CN disclosed