SCHEMBL9660946

SCHEMBL9660946

OC[C@@]1(c2ccccc2)O[C@H]1c1ccccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.39
HTR2B P41595 1/20 0.39
RBP4 P02753 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
POLB P06746 1/20 0.32
CUL4A Q13619 1/20 0.32

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
SCHEMBL9660957 1.00 HTR2C (0.39) HTR2CHTR2BRBP4TDP1GAA
SCHEMBL9660954 1.00 HTR2C (0.39) HTR2CHTR2BRBP4TDP1GAA
SCHEMBL9735754 0.90 HTR2C (0.37) HTR2CHTR2BRBP4TDP1GAA
SCHEMBL9735750 0.90 HTR2C (0.37) HTR2CHTR2BRBP4TDP1GAA
SCHEMBL9735755 0.90 HTR2C (0.37) HTR2CHTR2BRBP4TDP1GAA
SCHEMBL10444572 0.80 KCNN4 (0.39) HTR2CHTR2BTDP1GAAPOLB
SCHEMBL1498901 0.78 BACE1 (0.41) HTR2CHTR2BRBP4TDP1GAA
SCHEMBL10444517 0.77 PTGS2 (0.38) HTR2CHTR2BTDP1GAAOPRM1
SCHEMBL10444501 0.77 HTR2C (0.36) HTR2CHTR2BTDP1GAA
SCHEMBL9661290 0.76 GAA (0.42) HTR2CHTR2BRBP4GAA

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-0386557-B1 Method for combating fungi excluding the case of the treatment of human or animal body. BASF Aktiengesellschaft (DE) 1992-06-10 EP disclosed