SCHEMBL7094548

SCHEMBL7094548

Brc1ccc2c(c1)Cc1ccccc1C=N2

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 17/20 0.71
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
Morphanthridine SCHEMBL1150250 0.80 TRPA1 (1.00) TRPA1
Morphanthridine SCHEMBL1509656 0.78 TRPA1 (0.96) TRPA1
SCHEMBL28854449 0.74 TRPA1 (0.46) TRPA1HTR2CTDP1L3MBTL1
SCHEMBL13098180 0.71 TRPA1 (1.00) TRPA1
SCHEMBL18350153 0.69 TRPA1 (0.52) TRPA1SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL23233885 0.69
SCHEMBL563921 0.69 TRPA1 (0.57) TRPA1SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL31145655 0.69 TRPA1 (0.70) TRPA1
SCHEMBL8381353 0.67 TRPA1 (0.68) TRPA1
SCHEMBL7456203 0.67 TRPA1 (0.43) TRPA1HTR2C

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-0910563-B1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
US-6008213-A A INHIBITOR OF VITRONECTIN RECEPTOR AND FIBRINOGEN RECEPTOR; USEFUL FOR INHIBITING PLATELET AGGREGATION AND OSTEOPOROSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-28 US disclosed