SCHEMBL7818323

SCHEMBL7818323

C1=Nc2ccccc2C2C1=Cc1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.36
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 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
SCHEMBL9926022 0.67 TRPA1 (0.58) TRPA1
SCHEMBL7820828 0.67 HTR2A (0.32) TRPA1
SCHEMBL23032176 0.66 TRPA1 (0.39) TRPA1
SCHEMBL1772985 0.65 TRPA1 (0.42) TRPA1
SCHEMBL21399864 0.65 TRPA1 (0.42) TRPA1
SCHEMBL21312229 0.65 TRPA1 (0.42) TRPA1NOS3NOS1NOS2
SCHEMBL6671899 0.63 HTR2A (0.31)
SCHEMBL23032377 0.63 TRPA1 (0.40) TRPA1
SCHEMBL15075855 0.62
SCHEMBL9926021 0.62 TRPA1 (0.58) 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 5 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 claimed
EP-0713870-A1 NOVEL FUSED INDAN DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-05-29 EP claimed
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