SCHEMBL19670651

SCHEMBL19670651

CC(C)(C)OC(=O)N1CCCc2ccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CCC43)cc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.40
▸ CREBBP Q92793 12/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ NPY2R P49146 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ OGG1 O15527 1/20 0.36

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
SCHEMBL17624502 0.88 TRPV1 (0.42) TRPV1CREBBPCYP1A2HTR2CHTR2A
SCHEMBL19706109 0.86 TRPV1 (0.40) TRPV1CREBBPCYP1A2HTR2CHTR2A
SCHEMBL19670544 0.86 JAK2 (0.42) TRPV1CYP1A2HTR2CHTR2ARAB9A
SCHEMBL19670268 0.86 JAK2 (0.45) TRPV1CYP1A2HTR2CHTR2ARAB9A
SCHEMBL19670497 0.82 MAPT (0.45) TRPV1RAB9AMAPT
SCHEMBL16785656 0.82 CREBBP (0.42) TRPV1CREBBPCYP1A2HTR2CHTR2A
SCHEMBL19670466 0.78 CA2 (0.41) TRPV1NPY2RRAB9APOLBMAPT
SCHEMBL19365574 0.78 CA2 (0.41) TRPV1NPY2RRAB9APOLBMAPT
SCHEMBL12806233 0.78 KDM1A (0.41) POLB
SCHEMBL19670299 0.78 FYN (0.43) TRPV1CYP1A2HTR2CHTR2AMAPT

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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