SCHEMBL4429965

SCHEMBL4429965

CN1CCCc2ccc(NC(=O)c3ccc(-c4cnccn4)cc3)cc21

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 14/20 0.59
TRPV1 Q8NER1 2/20 0.51
BRD4 O60885 1/20 0.50
MLLT1 Q03111 1/20 0.49
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL4424245 0.83 CREBBP (0.61) CREBBPTRPV1BRD4TP53
SCHEMBL14083021 0.82 CREBBP (0.54) CREBBPTRPV1BRD4NPC1TP53
SCHEMBL4434239 0.81 TRPV1 (0.61) CREBBPTRPV1
SCHEMBL4434512 0.81 CREBBP (0.73) CREBBPTRPV1NPC1TP53HTT
SCHEMBL4422899 0.81 CREBBP (0.67) CREBBPTRPV1BRD4TP53
SCHEMBL4434191 0.81 CREBBP (0.77) CREBBPTRPV1BRD4TP53
SCHEMBL13998316 0.81 TRPV1 (0.64) CREBBPTRPV1NPC1TP53HTT
SCHEMBL4427826 0.80 CREBBP (0.64) CREBBPTRPV1
SCHEMBL4429044 0.80 CREBBP (0.60) CREBBPTRPV1BRD4TP53
SCHEMBL14083897 0.79 TRPV1 (0.57) CREBBPTRPV1BRD4

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