SCHEMBL9632709

SCHEMBL9632709

CCCOc1ccc([C@H]2CC[C@H](C(C)C3CCC(CCC)CC3)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
HTR2A P28223 1/20 0.33
CYP2C9 P11712 1/20 0.32
ACACB O00763 2/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
OPRL1 P41146 1/20 0.30
FPR2 P25090 1/20 0.30
PPARG P37231 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
SCHEMBL9631496 0.94 SCN9A (0.34) CYP2C9ALOX5APFEN1ALDH1A1LMNA
SCHEMBL9632570 0.93 PPARG (0.33) CYP2C9FPR2PPARG
SCHEMBL9631117 0.93 PPARG (0.33) HTR2CHTR2BHTR2ACYP2C9ACACB
SCHEMBL9631421 0.93 CYP2C9 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9630304 0.92 PPARG (0.32) HTR2CHTR2BHTR2AMAPTMEN1
SCHEMBL9630408 0.92 PPARG (0.32) CYP2C9FPR2PPARG
SCHEMBL9631259 0.92 HTR2C (0.33) HTR2CHTR2BHTR2AACACBALOX5AP
SCHEMBL9631987 0.92 HTR2C (0.37) HTR2CHTR2BHTR2ACYP2C9ALDH1A1
SCHEMBL9631990 0.92 HTR2C (0.37) HTR2CHTR2BHTR2ACYP2C9ALDH1A1
SCHEMBL9630264 0.91 GAA (0.33) HTR2CHTR2BHTR2AMAPTPPARG

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-0364538-B1 DIFLUOROBENZOL DERIVATIVES MERCK PATENT GmbH (DE) 1992-05-06 EP disclosed