SCHEMBL18249288

SCHEMBL18249288

CC(C)[CH]c1ccc(C2CC2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.35
PDE2A O00408 8/20 0.34
GPR119 Q8TDV5 1/20 0.32
GRM2 Q14416 1/20 0.31
GPR139 Q6DWJ6 2/20 0.31

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
SCHEMBL28166130 0.79 OPRL1 (0.35) OPRL1PDE2AGPR119
SCHEMBL3586405 0.77 ALDH1A1 (0.46) OPRL1
SCHEMBL16962258 0.77 OPRL1 (0.37) OPRL1
SCHEMBL16957741 0.77 OPRL1 (0.37) OPRL1PDE2A
SCHEMBL17914538 0.73 PDE2A (0.44) OPRL1PDE2AGPR139
SCHEMBL24666020 0.71 ALDH1A1 (0.49) OPRL1
SCHEMBL29820680 0.71 ALDH1A1 (0.49) OPRL1
SCHEMBL21506773 0.70 PDE2A (0.44) OPRL1PDE2AGPR139
SCHEMBL16961849 0.70 PDE2A (0.43) OPRL1PDE2AGPR139
SCHEMBL16962148 0.70 SLC6A2 (0.43) OPRL1PDE2A

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-2016183741-A1 PYRIMIDINONE AMIDE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-24 WO claimed