SCHEMBL7472832

SCHEMBL7472832

O=[C]c1cc(CCCO)ccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.35
CYP4A11 Q02928 3/20 0.35
CYP4F2 P78329 2/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
P2RY12 Q9H244 2/20 0.35
RECQL P46063 1/20 0.34
KDM4D Q6B0I6 1/20 0.33
LTA4H P09960 1/20 0.33
EPHX2 P34913 1/20 0.33
NR3C2 P08235 3/20 0.32
LNPEP Q9UIQ6 2/20 0.32
TBXA2R P21731 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 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
SCHEMBL7467453 0.93 CA2 (0.38) CA2CYP4A11CYP4F2PDE3BPDE3A
SCHEMBL6507963 0.83 LNPEP (0.39) CA2LNPEP
SCHEMBL4526795 0.83 MYC (0.39) RECQLLTA4HEPHX2
SCHEMBL6504469 0.81 LNPEP (0.43) LNPEPPPARA
SCHEMBL7471402 0.80 LNPEP (0.43) LNPEPPPARA
SCHEMBL6510156 0.79 NOS2 (0.36) CA2PDE3BPDE3ANR3C2LNPEP
SCHEMBL6509903 0.74 NOS3 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23152494 0.73 RECQL (0.66) CA2RECQLLTA4HEPHX2TBXA2R
SCHEMBL1871965 0.73 RECQL (0.37) CA2CYP4A11CYP4F2PDE3BPDE3A
SCHEMBL4282403 0.73 UHRF1 (0.43) CA2CYP4A11CYP4F2PDE3BPDE3A

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
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
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