SCHEMBL11468018

SCHEMBL11468018

CCc1cnc(CC(CF)NC(=O)C(C)N)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 5/20 0.34
▸ SMYD3 Q9H7B4 1/20 0.30
▸ DPP8 Q6V1X1 1/20 0.30
▸ DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL11613328 0.79 CTRB1 (0.32) CTRB1
SCHEMBL11460605 0.74 HRH4 (0.51) —
SCHEMBL19882987 0.71 DPP4 (0.48) CTRB1DPP8DPP7
SCHEMBL10937092 0.65 HRH1 (0.41) CTRB1
SCHEMBL14037799 0.64 — —
SCHEMBL11192511 0.64 DPP4 (0.41) CTRB1DPP8DPP7
SCHEMBL10921826 0.61 BRS3 (0.35) —
SCHEMBL7484552 0.61 GLA (0.39) —
Bromide SCHEMBL11534772 0.61 DPP7 (0.41) CTRB1DPP8DPP7
SCHEMBL31022920 0.60 HTT (0.36) —

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-4221914-A ANTIHISTAMINES, HISTIDINE DECARBOXYLASE INHIBITORS MERRELL TORAUDE ET COMPAGNIE (FR) 1980-09-09 — — US disclosed
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