SCHEMBL7469286

SCHEMBL7469286

CN(CCc1ccccc1)C1CCN(C(=O)c2ccc(-n3cncn3)c(NO)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
L3MBTL3 Q96JM7 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
TP53BP1 Q12888 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
MCHR1 Q99705 2/20 0.38
CHIA Q9BZP6 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
F2 P00734 1/20 0.37
NAPEPLD Q6IQ20 1/20 0.37

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
SCHEMBL27371715 0.91 DRD4 (0.40) DRD4ALDH1A1L3MBTL1L3MBTL3GPR119
Hydrochloric Acid SCHEMBL7464925 0.90 GPR119 (0.42) DRD4L3MBTL1L3MBTL3GPR119PDCD1
SCHEMBL7472375 0.89 SMN1; SMN2 (0.42) DRD4ALDH1A1L3MBTL1L3MBTL3GPR119
SCHEMBL7472329 0.89 GPR119 (0.41) DRD4L3MBTL3GPR119PDCD1CD274
Hydrochloric Acid SCHEMBL7461110 0.88 GPR119 (0.41) DRD4L3MBTL3GPR119PDCD1CD274
SCHEMBL7476326 0.87 GPR119 (0.40) DRD4L3MBTL3GPR119PDCD1CD274
SCHEMBL7476121 0.86 KMT2A (0.44) ALDH1A1GPR119KDM4E
SCHEMBL9393753 0.86 CHIA (0.42) DRD4L3MBTL1L3MBTL3GPR119PDCD1
SCHEMBL9393732 0.86 GPR119 (0.39) DRD4L3MBTL3GPR119PDCD1CD274
Hydrochloric Acid SCHEMBL7472415 0.86 KMT2A (0.43) ALDH1A1GPR119KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468884-B1 Benzimidazole derivatives, their preparation and their application as medicaments ESTEVE LABOR DR (ES) 1995-12-20 EP claimed
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
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP 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