SCHEMBL16449165

SCHEMBL16449165

CCOC(=O)CC1CCN(c2ncc(Br)cc2C)CC1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 19/20 0.52
USP14 P54578 1/20 0.46

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
SCHEMBL12515557 0.87 OPRK1 (0.48) OPRK1USP14
SCHEMBL16449194 0.85 OPRK1 (0.47) OPRK1
SCHEMBL14659394 0.85 OPRK1 (0.47) OPRK1USP14
SCHEMBL16449190 0.83 GPR119 (0.39) OPRK1
SCHEMBL16449164 0.83 USP14 (0.46) OPRK1USP14
SCHEMBL10379966 0.83 USP14 (0.44) OPRK1USP14
SCHEMBL16449188 0.82 DGAT1 (0.46)
SCHEMBL24880628 0.80 DGAT1 (0.49) OPRK1USP14
SCHEMBL14669277 0.79 OPRK1 (0.43) OPRK1USP14
SCHEMBL16449193 0.76 PIK3CA (0.47) OPRK1

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-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed