SCHEMBL4427367

SCHEMBL4427367

CN1CCCc2ccc(NC(=O)c3ccc(-c4ccsc4)cc3)cc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 11/20 0.56
TRPV1 Q8NER1 2/20 0.53
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
BRD4 O60885 1/20 0.48
RORC P51449 1/20 0.47
HDAC1 Q13547 1/20 0.47
P2RY14 Q15391 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 0.86 CREBBP (0.61) CREBBPTRPV1LMNATP53BRD4
SCHEMBL4422899 0.86 CREBBP (0.67) CREBBPTRPV1LMNATP53BRD4
SCHEMBL4434512 0.86 CREBBP (0.73) CREBBPTRPV1LMNATP53RORC
SCHEMBL4429044 0.85 CREBBP (0.60) CREBBPTRPV1LMNATP53BRD4
SCHEMBL4426844 0.83 CREBBP (0.58) CREBBPTRPV1LMNATP53BRD4
SCHEMBL4436100 0.82 CREBBP (0.55) CREBBPTRPV1LMNATP53RORC
SCHEMBL4434191 0.81 CREBBP (0.77) CREBBPTRPV1LMNATP53BRD4
SCHEMBL4426859 0.81 CREBBP (0.62) CREBBPTRPV1LMNATP53
SCHEMBL13998316 0.81 TRPV1 (0.64) CREBBPTRPV1LMNATP53RORC
SCHEMBL13865652 0.80 CREBBP (0.60) CREBBPTRPV1LMNATP53BRD4

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