SCHEMBL4422969

SCHEMBL4422969

CC(=O)Nc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)N(C)CCC4)cc2)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.58
CREBBP Q92793 9/20 0.52
HTR1D P28221 4/20 0.51
SLC6A4 P31645 2/20 0.49
TMPRSS2 O15393 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
RORC P51449 1/20 0.48
BRD4 O60885 1/20 0.47

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
SCHEMBL4430324 0.88 TRPV1 (0.62) TRPV1CREBBPHTR1DLMNATP53
SCHEMBL4427342 0.87 TRPV1 (0.72) TRPV1CREBBP
SCHEMBL4424245 0.84 CREBBP (0.61) TRPV1CREBBPLMNATP53RORC
SCHEMBL9066763 0.82 RAB9A (0.56) TRPV1LMNATP53
SCHEMBL4434512 0.82 CREBBP (0.73) TRPV1CREBBPLMNATP53RORC
SCHEMBL4422899 0.82 CREBBP (0.67) TRPV1CREBBPLMNATP53RORC
SCHEMBL4429044 0.81 CREBBP (0.60) TRPV1CREBBPHTR1DLMNATP53
SCHEMBL4427410 0.81 CREBBP (0.61) TRPV1CREBBP
SCHEMBL4427395 0.81 TRPV1 (0.59) TRPV1CREBBPLMNATP53BRD4
SCHEMBL4426859 0.80 CREBBP (0.62) TRPV1CREBBPLMNATP53

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
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed