SCHEMBL8768472

SCHEMBL8768472

Fc1ccc(C2CCC(CCC3CCC(C4CCCC4)CC3)CC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.39
ESR2 Q92731 2/20 0.38
USP30 Q70CQ3 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
USP5 P45974 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM1A O60341 1/20 0.35
ALOX5 P09917 1/20 0.35
CCR2 P41597 1/20 0.34
HCRTR2 O43614 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
SCHEMBL8768466 1.00 OPRL1 (0.39) OPRL1ESR2USP30HTR2AHTR2C
SCHEMBL8768461 1.00 OPRL1 (0.39) OPRL1ESR2USP30HTR2AHTR2C
SCHEMBL8767913 0.97 ESR2 (0.41) OPRL1ESR2USP30HTR2AHTR2C
SCHEMBL21581476 0.95 ESR2 (0.41) OPRL1ESR2USP30HTR2AHTR2C
SCHEMBL8767483 0.92 ESR2 (0.44) OPRL1ESR2USP30HTR2AHTR2C
SCHEMBL8767491 0.92 ESR2 (0.44) OPRL1ESR2USP30HTR2AHTR2C
SCHEMBL8768024 0.91 ESR2 (0.39) OPRL1ESR2USP30HTR2AHTR2C
SCHEMBL8767507 0.91 ESR2 (0.39) OPRL1ESR2USP30HTR2AHTR2C
SCHEMBL18895834 0.90 OPRL1 (0.43) OPRL1ESR2USP30HTR2AHTR2C
SCHEMBL8767567 0.90 HTR2A (0.39) USP30HTR2AHTR2CHTR2BUSP5

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-0789067-A1 Cyclopentyl derivatives useful as liquid crystals Rolic AG (CH) 1997-08-13 EP disclosed