SCHEMBL7466797

SCHEMBL7466797

CNC(=O)Nc1ccc(CCN(C)C2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.43
ABL1 P00519 2/20 0.41
RIN1 Q13671 2/20 0.41
PIK3CA P42336 4/20 0.40
MTOR P42345 3/20 0.40
PIK3CD O00329 1/20 0.40
PIK3C2B O00750 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
S1PR1 P21453 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
CCR3 P51677 1/20 0.39
MCHR1 Q99705 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
DPP4 P27487 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL8102276 0.86 GPR119 (0.48) GPR119MCHR1HRH3L3MBTL3DPP4
SCHEMBL7473126 0.86 GPR119 (0.47) GPR119CCR3HRH3L3MBTL3DPP4
SCHEMBL7475656 0.86 GPR119 (0.47) GPR119HRH3L3MBTL3DPP4NPC1
SCHEMBL7471264 0.86 GPR119 (0.48) GPR119ABL1RIN1MCHR1HRH3
SCHEMBL7466789 0.85 GPR119 (0.42) GPR119HRH3L3MBTL3DPP4NPC1
SCHEMBL7472799 0.84 GPR119 (0.46) GPR119MCHR1HRH3L3MBTL3DPP4
SCHEMBL7473019 0.84 GPR119 (0.48) GPR119L3MBTL3ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7473972 0.83 ABL1 (0.53) ABL1RIN1PIK3CAMTORPIK3CD
Hydrochloric Acid SCHEMBL7463342 0.82 GPR119 (0.44) GPR119HRH3L3MBTL3DPP4NPC1
SCHEMBL7465053 0.82 GPR119 (0.42) GPR119ABL1RIN1S1PR1HTR1D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed