SCHEMBL7473064

SCHEMBL7473064

O=C(c1ccc(-n2cncn2)cc1)N1CCC(NCCc2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.49
POLB P06746 1/20 0.48
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
PGGT1B P53609 1/20 0.47
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
SMYD3 Q9H7B4 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
PAK1 Q13153 1/20 0.44
LSS P48449 1/20 0.44
ALDH1A1 P00352 2/20 0.43
THRB P10828 1/20 0.43
DPP4 P27487 1/20 0.43

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
SCHEMBL8694167 0.89 NPC1 (0.50) DRD4POLBPRKAB2PRKAG1PRKAA2
SCHEMBL8695563 0.82 DRD4 (0.49) DRD4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7473126 0.81 GPR119 (0.47) POLBLSSALDH1A1THRBDPP4
SCHEMBL7471244 0.80 LSS (0.51) LSSALDH1A1DPP4SMN1; SMN2MAPT
SCHEMBL7462446 0.80 DRD4 (0.60) DRD4FNTAFNTBPGGT1BPRKAB2
SCHEMBL8700114 0.79 DRD4 (0.47) DRD4PRKAB2PRKAG1PRKAA2PRKAA1
Hydrochloric Acid SCHEMBL8693763 0.79 DPP4 (0.42) DRD4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7476814 0.78 DPP4 (0.52) POLBPRKAB2PRKAG1PRKAA2PRKAA1
Hydrochloric Acid SCHEMBL8696897 0.77 SMYD3 (0.43) DRD4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1809269 0.76 HRH3 (0.51) ALDH1A1DPP4MAPTMGLL

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-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
CN-1052224-C Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 2000-05-10 CN 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