SCHEMBL20031580

SCHEMBL20031580

COC(=O)c1cncc(N2CC3CCCC3C2)n1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.40
CD38 P28907 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
OPRK1 P41145 2/20 0.37

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
SCHEMBL20031106 0.83 RBP4 (0.54) RBP4
SCHEMBL31014743 0.81 NPC1 (0.40) CD38HRH3
SCHEMBL24323742 0.80 NPC1 (0.41) HRH3
SCHEMBL2065518 0.79 GPR119 (0.44) RBP4OPRK1
SCHEMBL2065516 0.79 GPR119 (0.44) RBP4OPRK1
SCHEMBL31706833 0.75 HTR2C (0.51)
SCHEMBL31705963 0.75 HTR2C (0.51)
SCHEMBL24993524 0.75 PIK3CA (0.44)
SCHEMBL4566530 0.75 HTR2C (0.51)
SCHEMBL31705338 0.75 PIK3CA (0.44)

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
WO-2018059314-A1 AZABICYCLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2018-04-05 WO disclosed