SCHEMBL2597762

SCHEMBL2597762

CCc1cccc2c1C(=O)N(C)[C@]2(CO)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.36
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
ANPEP P15144 2/20 0.33
DPP4 P27487 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
HDAC4 P56524 1/20 0.31
CYP2D6 P10635 1/20 0.31
ELANE P08246 1/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
SSTR4 P31391 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LIPG Q9Y5X9 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
SCHEMBL2597754 0.77 ALDH1A1 (0.42) CYP2D6HTTLMNAALDH1A1
SCHEMBL2599267 0.77 ALDH1A1 (0.42) CYP2D6HTTLMNAALDH1A1
SCHEMBL25772177 0.74 PDK2 (0.44) PDK2HTR7HTR2BANPEPDPP4
SCHEMBL6550873 0.65 ANPEP (0.49) PDK2ANPEPDPP4GABRA1GABRB2
SCHEMBL2597994 0.63 ATM (0.41) LMNAALDH1A1
SCHEMBL2598812 0.63 ALDH1A1 (0.42) LMNAALDH1A1
SCHEMBL19690451 0.61 GABRA1 (0.39) PDK2HTR7HTR2BGABRA1GABRB2
SCHEMBL18983054 0.59 CLCN2 (0.56) GABRA1GABRB2HTTLMNAALDH1A1
SCHEMBL13671328 0.59 MEN1 (0.60) ANPEPDPP4HTTALDH1A1
SCHEMBL23121513 0.58 ANPEP (0.44) ANPEPDPP4ELANEHTTLMNA

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-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 WO disclosed