SCHEMBL7466910

SCHEMBL7466910

O=C(c1ccc(-n2cncn2)cc1)N1CCC(N(CCO)CCc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.45
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
DPP4 P27487 1/20 0.42
ALDH1A1 P00352 2/20 0.40
SMYD3 Q9H7B4 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
HPGD P15428 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
NAPEPLD Q6IQ20 1/20 0.38
KCNH2 Q12809 1/20 0.38
NAMPT P43490 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
SCHEMBL7471264 0.87 GPR119 (0.48) GPR119KMT2ADPP4ALDH1A1SMYD3
Hydrochloric Acid SCHEMBL7471808 0.83 GPR119 (0.48) GPR119KMT2AMEN1DPP4ALDH1A1
Hydrochloric Acid SCHEMBL7468593 0.82 MCHR1 (0.47) GPR119DPP4ALDH1A1PDCD1CD274
SCHEMBL7461457 0.81 GPR119 (0.50) GPR119KMT2AMEN1DPP4ALDH1A1
SCHEMBL7473126 0.77 GPR119 (0.47) GPR119DPP4ALDH1A1HPGDHRH3
SCHEMBL7475656 0.77 GPR119 (0.47) GPR119KMT2AMEN1DPP4ALDH1A1
SCHEMBL7462540 0.77 GPR119 (0.45) GPR119KMT2AMEN1DPP4ALDH1A1
Hydrochloric Acid SCHEMBL7470297 0.77 ALDH1A1 (0.45) GPR119DPP4ALDH1A1HPGDL3MBTL3
SCHEMBL9209254 0.77 HTR2B (0.42) KMT2AMEN1ALDH1A1HRH3KCNH2
SCHEMBL7471449 0.76 GPR119 (0.44) GPR119KMT2AMEN1DPP4ALDH1A1

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 4 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
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