SCHEMBL8536119

SCHEMBL8536119

FC(F)(F)c1cccnc1-c1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
TRPV1 Q8NER1 14/20 0.45
NISCH Q9Y2I1 2/20 0.43
MTOR P42345 1/20 0.43
ADK P55263 1/20 0.43
EPHX2 P34913 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRA1A P35348 1/20 0.38

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
SCHEMBL17685265 0.79 TRPV1 (0.49) TRPV1
SCHEMBL15624412 0.79 TRPV1 (0.47) TRPV1EPHX2ADRA1A
SCHEMBL29360220 0.77 CSNK1A1 (0.49) TAAR1NISCHMTORADKMEN1
SCHEMBL773131 0.77 CSNK1A1 (0.49) TAAR1NISCHMTORADKMEN1
SCHEMBL4764130 0.77 NISCH (0.47) TRPV1NISCHMTORADKMEN1
SCHEMBL12987670 0.76 TRPV1 (0.40) TAAR1TRPV1EPHX2ADRA1A
SCHEMBL7537761 0.74 CSNK1A1 (0.49) TRPV1NISCHMTORADKMEN1
SCHEMBL7235096 0.73 TAAR1 (0.49) TAAR1NISCHMTORADKMEN1
SCHEMBL6924805 0.73 ADRA2A (0.49) TAAR1NISCHMTORADKMEN1
SCHEMBL4765463 0.73 ADRA2A (0.47) TRPV1NISCHMTORADKMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880504-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-12-02 EP claimed
WO-1997027181-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-07-31 WO claimed
EP-0857171-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-12 EP disclosed
WO-1997015555-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed