SCHEMBL7820828

SCHEMBL7820828

C1=NC2=Cc3ccccc3C2c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.32
TRPA1 O75762 3/20 0.31

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
SCHEMBL7818323 0.67 TRPA1 (0.36) TRPA1
SCHEMBL10919953 0.64
SCHEMBL1873013 0.63
SCHEMBL6045293 0.62 HTR2A (0.35) HTR2A
SCHEMBL30424597 0.62 HTR2A (0.38) HTR2A
SCHEMBL22879286 0.62 HTR2A (0.32) HTR2A
SCHEMBL23032176 0.62 TRPA1 (0.39) HTR2ATRPA1
SCHEMBL21399864 0.61 TRPA1 (0.42) TRPA1
SCHEMBL21312229 0.61 TRPA1 (0.42) TRPA1
SCHEMBL1772985 0.61 TRPA1 (0.42) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713870-B1 NOVEL FUSED INDAN DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2001-07-18 EP disclosed
US-6028079-A FOR TREATING TUMOR OF MAMMAL TAIHO PHARMACEUTICAL CO., LTD (JP) 2000-02-22 US disclosed
EP-0713870-A1 NOVEL FUSED INDAN DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-05-29 EP disclosed