SCHEMBL7471402

SCHEMBL7471402

CCCCCCc1ccnc([C]=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 1/20 0.43
KAT8 Q9H7Z6 2/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGS2 P35354 3/20 0.40
ESR1 P03372 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SHBG P04278 1/20 0.40

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
SCHEMBL6504469 0.98 LNPEP (0.43) LNPEPKAT8PPARAPPARGTDP1
SCHEMBL6507963 0.93 LNPEP (0.39) LNPEPTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL6510156 0.86 NOS2 (0.36) LNPEPL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL7467453 0.84 CA2 (0.38) LNPEPKDM4EACHE
SCHEMBL10992432 0.84 HSD17B10 (0.47) TDP1L3MBTL1PTGS2ESR1ADRA2A
SCHEMBL7694745 0.84 HSD17B10 (0.47) TDP1L3MBTL1PTGS2ESR1ADRA2A
SCHEMBL9440126 0.84 HSD17B10 (0.47) TDP1L3MBTL1PTGS2ESR1ADRA2A
SCHEMBL5509083 0.82 HSD17B10 (0.45) LNPEPTDP1L3MBTL1PTGS2ESR1
SCHEMBL7472832 0.80 CA2 (0.35) LNPEPPPARA
SCHEMBL6509903 0.79 NOS3 (0.52) L3MBTL1KDM4EALDH1A1LMNA

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
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
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