SCHEMBL816886

SCHEMBL816886

C=C(C)c1cccc(C2CN2)c1C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ HTR2C P28335 2/20 0.31
▸ EDNRA P25101 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
SCHEMBL818385 0.84 ADRA2A (0.33) —
SCHEMBL816985 0.82 ALDH1A1 (0.31) —
SCHEMBL817651 0.76 HTR2C (0.50) HTR2C
SCHEMBL817949 0.76 HTR2C (0.61) HTR2C
SCHEMBL818680 0.74 HTR2C (0.41) HTR2C
SCHEMBL13442255 0.69 PBRM1 (0.38) —
SCHEMBL715998 0.69 TRPA1 (0.46) —
SCHEMBL29407046 0.69 TRPA1 (0.46) —
SCHEMBL29473783 0.67 TRPA1 (0.50) CA1CA2EDNRA
SCHEMBL685677 0.67 TRPA1 (0.50) CA1CA2EDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275756-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 — — US disclosed
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