SCHEMBL4434191

SCHEMBL4434191

CN1CCCc2ccc(NC(=O)c3ccc(-c4cnn(C)c4)cc3)cc21

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 15/20 0.77
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.59
TRPV1 Q8NER1 2/20 0.53
BRD4 O60885 1/20 0.50
TP53 P04637 1/20 0.48

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
SCHEMBL4422899 0.86 CREBBP (0.67) CREBBPLMNATRPV1BRD4TP53
SCHEMBL4424245 0.86 CREBBP (0.61) CREBBPLMNATRPV1BRD4TP53
SCHEMBL4434512 0.86 CREBBP (0.73) CREBBPLMNATRPV1TP53
SCHEMBL4429044 0.85 CREBBP (0.60) CREBBPLMNATRPV1BRD4TP53
SCHEMBL4426844 0.83 CREBBP (0.58) CREBBPLMNATRPV1BRD4TP53
SCHEMBL13865652 0.82 CREBBP (0.60) CREBBPLMNATRPV1BRD4TP53
SCHEMBL4427367 0.81 CREBBP (0.56) CREBBPLMNATRPV1BRD4TP53
SCHEMBL4426859 0.81 CREBBP (0.62) CREBBPLMNATRPV1TP53
SCHEMBL13998316 0.81 TRPV1 (0.64) CREBBPLMNATRPV1TP53
SCHEMBL4429965 0.81 CREBBP (0.59) CREBBPTRPV1BRD4TP53

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