SCHEMBL10324328

SCHEMBL10324328

CC1(C(=O)O)CCN(c2ccc(-c3ccc(C=O)cn3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.56
KCNH2 Q12809 4/20 0.56
CNR2 P34972 2/20 0.43
RET P07949 9/20 0.38
FYN P06241 2/20 0.36
ERN1 O75460 1/20 0.36
ALOX5AP P20292 1/20 0.36
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL10380846 0.75 DGAT1 (0.77) DGAT1KCNH2
SCHEMBL10381276 0.74 DGAT1 (0.67) DGAT1KCNH2CNR2
SCHEMBL10382250 0.73 DGAT1 (0.73) DGAT1KCNH2
SCHEMBL10380802 0.73 DGAT1 (0.82) DGAT1KCNH2
SCHEMBL10379842 0.72 DGAT1 (0.87) DGAT1KCNH2
SCHEMBL25082374 0.72 KCNJ1 (0.44) DGAT1CNR2
SCHEMBL10381526 0.72 DGAT1 (0.66) DGAT1KCNH2
SCHEMBL10380803 0.71 DGAT1 (0.78) DGAT1KCNH2
SCHEMBL16026618 0.71 ME2 (0.48)
SCHEMBL360587 0.70 FFAR4 (0.57) DGAT1KCNH2

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
WO-2012096813-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-07-19 WO disclosed
WO-2012096813-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-07-19 WO disclosed