SCHEMBL9628619

SCHEMBL9628619

Cc1cccc(C2CCCC2)c1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.46
NOTUM Q6P988 1/20 0.38
HTR1A P08908 2/20 0.38
PTGS2 P35354 1/20 0.38
HTR7 P34969 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
OPRL1 P41146 2/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL13545695 0.98 HTR2C (0.44) HTR2CNOTUMHTR1APTGS2HTR7
SCHEMBL16951463 0.92 HTR2C (0.48) HTR2CNOTUMHTR1ATAS1R3TAS1R1
SCHEMBL20081001 0.88 HTR2C (0.40) HTR2CNOTUMHTR1APTGS2TAS1R3
SCHEMBL20312053 0.86 OPRL1 (0.37) HTR2CNOTUMOPRL1ALOX5APFEN1
SCHEMBL10030799 0.84 OPRL1 (0.38) HTR2CPTGS2OPRL1ALOX5APFEN1
SCHEMBL14591158 0.83 HTR2C (0.42) HTR2CNOTUMHTR1ASLC6A2SLC6A4
SCHEMBL12716351 0.82 OPRL1 (0.40) HTR2CNOTUMPTGS2OPRL1ALOX5AP
SCHEMBL6386133 0.79 HTR2C (0.69) HTR2CHTR1APTGS2HTR7TAS1R3
SCHEMBL20083053 0.79 HTR2C (0.34) HTR2CNOTUMOPRL1
SCHEMBL43079 0.79 HTR2C (0.67) HTR2CPTGS2OPRL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169931-B2 Cell differentiation, cell proliferation SHIONOGI & CO., LTD. (JP) 2007-01-30 US disclosed
US-7169931-B2 Cell differentiation, cell proliferation SHIONOGI & CO., LTD. (JP) 2007-01-30 US disclosed
EP-0347690-B1 PROCESS FOR MANUFACTURING BENZENE DERIVATIVES, AND BENZENE DERIVATIVES BASF Aktiengesellschaft (DE) 1992-10-21 EP disclosed
US-5151548-A Crop protection agents BASF AKTIENGESELLSCHAFT (DE) 1992-09-29 US disclosed
EP-0347690-A2 Process for manufacturing benzene derivatives, and benzene derivatives BASF Aktiengesellschaft (DE) 1989-12-27 EP disclosed