SCHEMBL7470862

SCHEMBL7470862

CCCCC(=O)c1cccnc1[C]=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.47
DAGLA Q9Y4D2 5/20 0.42
CES1 P23141 1/20 0.40
ELANE P08246 1/20 0.40
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
HSD17B3 P37058 1/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR7 P34969 1/20 0.38
BDKRB1 P46663 1/20 0.38

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
SCHEMBL7473927 0.84 P2RX7 (0.40) CTNNB1WNT3AKDM4EALDH1A1HPGD
SCHEMBL27837077 0.78 NAPRT (0.54) FAAHDAGLACTNNB1WNT3AHSD17B3
SCHEMBL7475869 0.77 HTT (0.55) KDM4EALDH1A1HPGD
SCHEMBL7462205 0.77 TSHR (0.61) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8833113 0.75 KDM4E (0.42) KDM4EALDH1A1
SCHEMBL9361672 0.75 NSD2 (0.50) FAAHDAGLAELANEGABRA1GABRB2
SCHEMBL30125359 0.74 GABRA1 (0.54) CES1HSD17B3GABRA1GABRB2KDM4E
SCHEMBL83892 0.74 GABRA1 (0.54) CES1HSD17B3GABRA1GABRB2KDM4E
SCHEMBL27890805 0.74 FAAH (0.52) FAAHDAGLAALDH1A1
SCHEMBL7466424 0.74 TSHR (0.56) ELANEALDH1A1HPGDHSD17B10

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