SCHEMBL7477011

SCHEMBL7477011

CC(=O)N1CCC(N2CCC(c3ccccc3)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.59
GRIN2B Q13224 2/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPY5R Q15761 1/20 0.53
QDPR P09417 1/20 0.52
KCNH2 Q12809 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
SIGMAR1 Q99720 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BRD4 O60885 1/20 0.50
POLB P06746 1/20 0.50
CREBBP Q92793 1/20 0.50
OPRL1 P41146 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL1473424 0.91 QDPR (0.61) SLC18A3NPY5RQDPRKCNH2HRH3
SCHEMBL27786279 0.82 SLC18A3 (0.55) SLC18A3GRIN2BCYP2D6CYP2C19KCNH2
SCHEMBL1197270 0.81 RAB9A (0.63) KCNH2HRH3ALDH1A1POLB
SCHEMBL19493962 0.81 RAB9A (0.63) KCNH2HRH3ALDH1A1POLB
SCHEMBL2965273 0.80 SLC18A3 (0.81) SLC18A3GRIN2BCYP2D6CYP2C19ALDH1A1
SCHEMBL2931850 0.79 RAB9A (0.54) SLC18A3GRIN2BCYP2D6CYP2C19ALDH1A1
SCHEMBL12897278 0.78 MEN1 (0.63) QDPRKDM4EALDH1A1BRD4POLB
SCHEMBL13589641 0.78 HRH3 (0.57) SLC18A3KCNH2HRH3ALDH1A1L3MBTL1
SCHEMBL911730 0.77 KDM4E (0.56) SLC18A3KDM4EALDH1A1L3MBTL3L3MBTL1
SCHEMBL1531725 0.77 KCNH2 (0.59) SLC18A3KCNH2HRH3ALDH1A1SIGMAR1

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 7 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
CN-1104412-A Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 1995-06-28 CN 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