SCHEMBL2247101

SCHEMBL2247101

Cc1cc(N)cnc1N1CCC(N(C)C(=O)O)[C@@H]1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
OPRK1 P41145 1/20 0.32
OPRM1 P35372 1/20 0.30
OPRL1 P41146 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
SCHEMBL2247090 1.00 PDK2 (0.34) PDK2OPRK1OPRM1OPRL1
SCHEMBL2236558 0.80 PDK2 (0.41) PDK2
SCHEMBL2236550 0.80 PDK2 (0.41) PDK2
SCHEMBL1750885 0.73 JAK3 (0.40) OPRK1OPRM1
SCHEMBL1587768 0.71 MMP2 (0.35)
SCHEMBL2170912 0.66 PDE10A (0.48) OPRK1
SCHEMBL2247096 0.66 PDE10A (0.48) OPRK1
SCHEMBL16467124 0.64 PDE10A (0.51) OPRK1
SCHEMBL3549179 0.64 FFAR4 (0.43) OPRK1
SCHEMBL27741477 0.63 OPRK1 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346873-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2011-07-27 EP disclosed
WO-2010047956-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-29 WO disclosed