SCHEMBL7476326

SCHEMBL7476326

CN(CCc1ccccc1)C1CCN(C(=O)c2ccc(-n3cncn3)c(C(N)=O)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.40
CHIA Q9BZP6 1/20 0.40
DRD4 P21917 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MCHR1 Q99705 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
LSS P48449 1/20 0.36

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
Hydrochloric Acid SCHEMBL7464925 0.90 GPR119 (0.42) GPR119CHIADRD4NPC1RAB9A
SCHEMBL7472329 0.90 GPR119 (0.41) GPR119CHIADRD4NPC1RAB9A
SCHEMBL7472375 0.90 SMN1; SMN2 (0.42) GPR119CHIADRD4NPC1RAB9A
Hydrochloric Acid SCHEMBL7461110 0.89 GPR119 (0.41) GPR119CHIADRD4NPC1RAB9A
SCHEMBL9393753 0.89 CHIA (0.42) GPR119CHIADRD4NPC1RAB9A
Hydrochloric Acid SCHEMBL7471364 0.88 CHIA (0.42) GPR119CHIADRD4NPC1RAB9A
SCHEMBL7476121 0.87 KMT2A (0.44) GPR119
SCHEMBL7469286 0.87 DRD4 (0.40) GPR119CHIADRD4NPC1RAB9A
Hydrochloric Acid SCHEMBL7472415 0.86 KMT2A (0.43) GPR119
SCHEMBL9393732 0.86 GPR119 (0.39) GPR119CHIADRD4NPC1RAB9A

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 3 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-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed