SCHEMBL3983576

SCHEMBL3983576

CC(=O)NCc1ccc(-c2ccc(CNC3CCN(C(=O)O)CC3)cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
CXCR4 P61073 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
DRD4 P21917 1/20 0.39
TEAD1 P28347 1/20 0.39
HPGDS O60760 1/20 0.39
MTOR P42345 1/20 0.39
VHL P40337 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
SMO Q99835 1/20 0.38
KMT2A Q03164 1/20 0.38
ADAM17 P78536 1/20 0.38
HTR5A P47898 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL4097506 0.86 GPR119 (0.57) GPR119TP53
SCHEMBL3983572 0.85 NPC1 (0.37) LTA4HCXCR4RAB9ANPC1SMN1; SMN2
SCHEMBL3981387 0.84 GPR119 (0.44) GPR119MTOR
SCHEMBL3984090 0.84 CXCR4 (0.42) CXCR4RAB9ANPC1SMN1; SMN2DRD4
SCHEMBL3985778 0.84 NPC1 (0.42) CXCR4GPR119RAB9ANPC1SMN1; SMN2
SCHEMBL3980490 0.81 CYP4F2 (0.51) GPR119
SCHEMBL3984556 0.78 KDM1A (0.47) CXCR4DRD4HPGDSPDCD1CD274
SCHEMBL3983774 0.77 GPR119 (0.41) GPR119HPGDSMTORVHLHTR5A
SCHEMBL3984528 0.77 GPR119 (0.49) GPR119MAPTHPGDSKMT2ATP53
SCHEMBL3985988 0.76 KDM1A (0.48) CXCR4KDM4EMAPTDRD4TEAD1

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-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed