SCHEMBL8069172

SCHEMBL8069172

CCN(Cc1ccccc1)[C@@H](CO)CNC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 11/20 0.50
OPRK1 P41145 11/20 0.50
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
NPBWR1 P48145 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MCHR1 Q99705 1/20 0.42
LMNA P02545 1/20 0.39
BCHE P06276 1/20 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
SCHEMBL17571412 0.83 TSHR (0.46) OPRD1NPC1RAB9ATSHRGAA
SCHEMBL19435319 0.83 TSHR (0.46) OPRD1NPC1RAB9ATSHRGAA
SCHEMBL18085367 0.78 OPRD1 (0.49) OPRD1OPRK1TSHRKMT2ABCHE
SCHEMBL3300446 0.76 TSHR (0.49) OPRK1NPC1RAB9ATSHRGAA
SCHEMBL3300438 0.76 TSHR (0.49) OPRK1NPC1RAB9ATSHRGAA
SCHEMBL12126189 0.76 TSHR (0.48) OPRD1OPRK1NPC1RAB9ATSHR
SCHEMBL1236268 0.75 TSHR (0.55) OPRK1NPC1RAB9ATSHRGAA
SCHEMBL9816880 0.75 BCHE (0.51) OPRD1OPRK1NPC1RAB9ATSHR
SCHEMBL9816883 0.75 BCHE (0.51) OPRD1OPRK1NPC1RAB9ATSHR
SCHEMBL1198741 0.74 S1PR2 (0.43) OPRD1NPC1RAB9AKMT2ALMNA

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-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed