SCHEMBL8131998

SCHEMBL8131998

COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C1CCCN(C)C1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.62
SIGMAR1 Q99720 2/20 0.47
TMEM97 Q5BJF2 1/20 0.45
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
KIF11 P52732 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40

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
SCHEMBL8131761 0.87 HTR2A (0.53) HTR2ASIGMAR1TMEM97
SCHEMBL8137489 0.85 HTR2A (0.54) HTR2A
SCHEMBL24540179 0.79 LSS (0.47) HTR2ASIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL2277992 0.78 HTR2C (0.48) HTR2A
SCHEMBL8143910 0.78 PDE4B (0.52) SIGMAR1
SCHEMBL25722721 0.77 HTR2A (0.59) HTR2ASIGMAR1
SCHEMBL23326127 0.77 HTR2A (1.00) HTR2A
SCHEMBL23326129 0.77 HTR2A (1.00) HTR2A
SCHEMBL29775391 0.77 HTR2A (1.00) HTR2A
SCHEMBL23326224 0.77 HTR2A (1.00) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037876-A1 BIPHENYL DERIVATIVES AS PHARMACEUTICALS Novartis AG (CH) 2000-09-27 EP claimed
WO-1999023073-A1 BIPHENYL DERIVATIVES AS PHARMACEUTICALS NOVARTIS AG (CH) 1999-05-14 WO claimed
EP-1037876-A1 BIPHENYL DERIVATIVES AS PHARMACEUTICALS Novartis AG (CH) 2000-09-27 EP disclosed
WO-1999023073-A1 BIPHENYL DERIVATIVES AS PHARMACEUTICALS NOVARTIS AG (CH) 1999-05-14 WO disclosed