SCHEMBL16620603

SCHEMBL16620603

NC(=O)OC1CCN(c2ccnc(Cl)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 8/20 0.43
▸ ACACB O00763 10/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL28639336 0.93 EIF2AK4 (0.43) TRPV1ACACB
SCHEMBL4336110 0.92 TRPV1 (0.48) TRPV1HRH3
SCHEMBL28542435 0.86 HRH3 (0.55) ACACBHRH3
SCHEMBL27705241 0.80 TRPV1 (0.49) TRPV1ACACBHRH3
SCHEMBL28913940 0.78 HRH3 (0.56) HRH3
SCHEMBL28543561 0.78 HRH3 (0.61) HRH3
SCHEMBL16685016 0.78 LSS (0.47) HRH3
SCHEMBL12291584 0.78 TRPV1 (0.50) TRPV1HRH3
SCHEMBL29104563 0.77 PDE10A (0.46) HRH3
SCHEMBL20507602 0.77 TRPV1 (0.49) TRPV1HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108135175-B Bicyclic compounds and their use for inhibition of SUV39H2 肿瘤疗法科学股份有限公司 2021-04-06 — — CN disclosed
WO-2015049325-A1 THERAPEUTIC INHIBITORS OF CDK8 AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2015-04-09 — — WO disclosed
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