SCHEMBL9682997

SCHEMBL9682997

c1ccc(CN2CCC2COc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.57
SPHK2 Q9NRA0 3/20 0.49
SPHK1 Q9NYA1 3/20 0.49
GBA1 P04062 1/20 0.47
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46

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
Oxalic Acid SCHEMBL9683845 0.92 FAAH (0.57) FAAHSPHK2SPHK1
SCHEMBL9745126 0.82 FAAH (0.48) FAAHSPHK2SPHK1CASP3CASP7
SCHEMBL22587046 0.82 VEGFA (0.53) FAAHGBA1
SCHEMBL9592739 0.82 SIGMAR1 (0.60)
SCHEMBL11990400 0.81 GBA1 (0.49) GBA1
SCHEMBL1177664 0.81 FAAH (0.48) FAAHSPHK2SPHK1
SCHEMBL7297678 0.81 FAAH (0.60) FAAHSPHK2SPHK1
SCHEMBL6853109 0.78 CCR3 (0.53)
SCHEMBL17154894 0.77 GBA1 (0.43) FAAHSPHK1GBA1
SCHEMBL18946439 0.77 NPC1 (0.56) SPHK2SPHK1

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-5130309-A Cardiovascular disorders A. H. ROBINS COMPANY, INCORPORATED (US) 1992-07-14 US claimed