SCHEMBL28542435

SCHEMBL28542435

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.55
▸ HRH4 Q9H3N8 1/20 0.46
▸ CCNC P24863 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ BTK Q06187 1/20 0.43
▸ ACACB O00763 12/20 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
SCHEMBL28543561 0.92 HRH3 (0.61) HRH3HRH4CCNCCDK8BTK
SCHEMBL16620603 0.86 TRPV1 (0.43) HRH3ACACB
SCHEMBL17626627 0.81 HRH3 (0.60) HRH3HRH4ACACB
SCHEMBL17626880 0.81 HRH3 (0.60) HRH3HRH4ACACB
SCHEMBL18691293 0.81 HRH3 (0.60) HRH3HRH4ACACB
SCHEMBL28639336 0.79 EIF2AK4 (0.43) BTKACACB
SCHEMBL28913940 0.79 HRH3 (0.56) HRH3
SCHEMBL16685016 0.79 LSS (0.47) HRH3
SCHEMBL29104563 0.78 PDE10A (0.46) HRH3
SCHEMBL4336110 0.78 TRPV1 (0.48) HRH3

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
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
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