SCHEMBL2597224

SCHEMBL2597224

COc1cnc(N2CCC(N3CCCC3=O)[C@H](Nc3ccc(S(C)(=O)=O)cc3F)C2)cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
GPR119 Q8TDV5 13/20 0.35
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 1/20 0.33
SLC6A9 P48067 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
GPR6 P46095 2/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32

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
SCHEMBL2597413 0.81 GPR119 (0.41) GPR119KCNH2CCNA2CDK2CDK5
SCHEMBL2597062 0.81 SLC6A9 (0.38) GPR119KCNH2SLC6A9NR1H2NR1H3
SCHEMBL2597223 0.77 GPR119 (0.42) GPR119KCNH2SLC6A9GPR6
SCHEMBL15022888 0.77 GPR119 (0.42) GPR119KCNH2SLC6A9GPR6
SCHEMBL789216 0.74 SLC6A9 (0.34) GPR119SLC6A9CCNA2CDK2CDK5
SCHEMBL2597109 0.71 SLC6A9 (0.37) GPR119SLC6A9CCNA2CDK2CDK5
SCHEMBL15023425 0.67 GPR119 (0.42) GPR119KCNH2
SCHEMBL15023345 0.67 GPR119 (0.43) GPR119KCNH2SLC6A9CCNA2CDK2
SCHEMBL12185783 0.67 GPR119 (0.43) GPR119KCNH2SLC6A9CCNA2CDK2
SCHEMBL15047699 0.67 GPR119 (0.42) GPR119KCNH2CCNA2CDK2CDK5

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-2571864-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS Array Biopharma, Inc. (US) 2013-03-27 EP disclosed
WO-2011146335-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2011-11-24 WO disclosed