SCHEMBL8137489

SCHEMBL8137489

COc1ccc(-c2ccccc2)cc1C1CCCN(C)C1

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.54
HTR2C P28335 2/20 0.46
DRD2 P14416 1/20 0.45
KCNH2 Q12809 1/20 0.45
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL2277992 0.92 HTR2C (0.48) HTR2AHTR2CDRD2
SCHEMBL8131998 0.85 HTR2A (0.62) HTR2A
SCHEMBL12852526 0.82 HTR2A (0.56) HTR2AHTR2CDRD2
SCHEMBL25722721 0.81 HTR2A (0.59) HTR2A
SCHEMBL12396714 0.76 MEN1 (0.46)
SCHEMBL26473316 0.74 HTR2A (0.67) HTR2AHTR2C
SCHEMBL26473311 0.74 HTR2A (0.67) HTR2AHTR2C
SCHEMBL8156328 0.74 HTR2A (0.48) HTR2AHTR2CDRD2KCNH2
SCHEMBL28740554 0.74 BRD4 (0.52) HTR2AHTR2CDRD2KCNH2
SCHEMBL13416040 0.73 DRD2 (0.61) HTR2AHTR2CDRD2

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 2 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 disclosed
WO-1999023073-A1 BIPHENYL DERIVATIVES AS PHARMACEUTICALS NOVARTIS AG (CH) 1999-05-14 WO disclosed