SCHEMBL7467393

SCHEMBL7467393

NC1C[CH]c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
KDM1A O60341 8/20 0.34
KDM1B Q8NB78 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A3 Q01959 3/20 0.34
DPP4 P27487 1/20 0.34
ANPEP P15144 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A4 P31645 2/20 0.31

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
SCHEMBL3801209 0.77 HTR2A (0.42) HTR2AKDM1AKDM1BSLC6A2SLC6A3
SCHEMBL4436919 0.71 CYP19A1 (0.38) HTR2AALDH1A1MAPT
SCHEMBL1450862 0.71 MAOA (0.33) HTR2AMEN1KMT2A
SCHEMBL6722814 0.69 ATM (0.39) ALDH1A1CYP3A4MAPTKMT2AHSD17B10
SCHEMBL4430948 0.68 MEN1 (0.40) MEN1CYP3A4KMT2A
SCHEMBL7472007 0.67 HTR2C (0.31) SLC6A2SLC6A4
SCHEMBL15049695 0.67 HTR2A (0.32) HTR2A
SCHEMBL3201048 0.66 SLC6A2 (0.56) HTR2AKDM1AKDM1BSLC6A2SLC6A3
SCHEMBL6924410 0.66 SLC6A2 (0.52) HTR2AKDM1AKDM1BSLC6A2SLC6A3
SCHEMBL30450726 0.66 SLC6A2 (0.56) HTR2AKDM1AKDM1BSLC6A2SLC6A3

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-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