SCHEMBL6089442

SCHEMBL6089442

CCOCc1nc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)c2ccc(-c3ncccc3C(F)(F)F)nc2n1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.57

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
SCHEMBL4976402 0.92 TRPV1 (0.56) TRPV1
SCHEMBL4972852 0.91 TRPV1 (0.49) TRPV1
SCHEMBL4972720 0.91 TRPV1 (0.48) TRPV1
SCHEMBL4975052 0.90 TRPV1 (0.48) TRPV1
SCHEMBL4917987 0.88 TRPV1 (0.72) TRPV1
SCHEMBL4919573 0.87 TRPV1 (0.73) TRPV1
SCHEMBL4915946 0.86 TRPV1 (0.60) TRPV1
SCHEMBL4973824 0.85 TRPV1 (0.56) TRPV1
SCHEMBL4908637 0.84 TRPV1 (0.58) TRPV1
SCHEMBL4972370 0.84 TRPV1 (0.57) TRPV1

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-7074799-B2 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2006-07-11 US claimed