SCHEMBL7420307

SCHEMBL7420307

CCCn1ccc2cc3c(cc21)CCN3

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
HTR7 P34969 6/20 0.34
EGFR P00533 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL7417887 0.88 AR (0.37) ARSMN1; SMN2DRD2DRD4
SCHEMBL7415949 0.80 AR (0.40) ARHTR2AHTR2CSMN1; SMN2DRD2
SCHEMBL7420662 0.72 MAPT (0.44) HTR2AHTR2CSMN1; SMN2HRH3
SCHEMBL9328879 0.72 CDK4 (0.52) HTR2AHTR2C
SCHEMBL108285 0.68 HTR2A (0.42) HTR2AHTR2CEGFR
SCHEMBL29670034 0.68 HTR2A (0.42) HTR2AHTR2CEGFR
SCHEMBL7468196 0.68 AR (0.43) ARSMN1; SMN2DRD2DRD4HRH3
SCHEMBL18307589 0.68 CDK4 (0.52) HTR2AHTR2CSMN1; SMN2
SCHEMBL7414805 0.67 NOTUM (0.47) HTR2AHTR2CSMN1; SMN2
SCHEMBL9919051 0.67 AR (0.45) ARSMN1; SMN2DRD2DRD4

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-0656003-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-07 EP disclosed
WO-1994004533-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-03-03 WO disclosed