SCHEMBL9849442

SCHEMBL9849442

CCCCC1CCC(C(C)C2CCC(O)(c3cccc(F)c3F)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.32
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 0.32
HDAC4 P56524 1/20 0.31
MAPT P10636 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
OPRD1 P41143 1/20 0.30

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
SCHEMBL9849441 0.88 OPRL1 (0.35) OPRL1OPRM1OPRK1HDAC4OPRD1
SCHEMBL731689 0.85 HDAC4 (0.35) OPRL1OPRM1OPRK1HDAC4OPRD1
SCHEMBL731291 0.81 HDAC4 (0.40) OPRL1OPRM1OPRK1HDAC4OPRD1
SCHEMBL9346748 0.77 OPRM1 (0.34) OPRL1OPRM1OPRK1MAPTOPRD1
SCHEMBL9015153 0.76 HDAC4 (0.35) OPRL1OPRM1OPRK1HDAC4OPRD1
SCHEMBL1574519 0.73 HDAC4 (0.38) HDAC4
SCHEMBL12733562 0.71 HDAC4 (0.42) OPRL1OPRM1OPRK1HDAC4OPRD1
SCHEMBL1574708 0.70 PSEN1 (0.32) OPRL1HDAC4
SCHEMBL8643261 0.69 HDAC4 (0.40) OPRL1OPRM1OPRK1HDAC4MAPT
SCHEMBL8643255 0.69 HDAC4 (0.40) OPRL1OPRM1OPRK1HDAC4MAPT

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
EP-0423926-A1 Difluorobenzonitrile derivatives Chisso Corporation (JP) 1991-04-24 EP disclosed