SCHEMBL19365693

SCHEMBL19365693

CN1CCCN(C(=O)Nc2ccncc2F)c2nc(-c3cccc(CC(O)CO)c3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.34
▸ WNT1 P04628 1/20 0.33
▸ ROCK2 O75116 13/20 0.33
▸ PRMT3 O60678 1/20 0.33
▸ TRPV3 Q8NET8 1/20 0.32
▸ TACR1 P25103 1/20 0.31

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
SCHEMBL19670220 0.86 ROCK2 (0.34) TRPV1ROCK2TRPV3
SCHEMBL20633013 0.86 HTR2C (0.38) TRPV1ROCK2PRMT3
SCHEMBL19365462 0.84 FGFR4 (0.42) TRPV1WNT1
SCHEMBL19365473 0.83 FGFR4 (0.39) —
SCHEMBL19670295 0.83 HTR2C (0.39) TRPV1
SCHEMBL17618592 0.80 PIM2 (0.34) TRPV1ROCK2
SCHEMBL19365298 0.79 FGFR4 (0.43) —
SCHEMBL16776101 0.79 WDR5 (0.33) PRMT3
SCHEMBL17655361 0.76 ROCK2 (0.36) TRPV1ROCK2PRMT3
SCHEMBL19670379 0.76 PRMT5 (0.37) ROCK2

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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