SCHEMBL7475869

SCHEMBL7475869

CCCCCNC(=O)c1cccnc1[C]=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
TSHR P16473 1/20 0.55
NAAA Q02083 4/20 0.55
HPGD P15428 3/20 0.52
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HCRTR1 O43613 1/20 0.48
ALOX5 P09917 1/20 0.47
ALOX12 P18054 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ASAH1 Q13510 1/20 0.44

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
SCHEMBL4600712 0.81 NAAA (0.65) HTTTSHRNAAAHPGDLMNA
SCHEMBL2359602 0.81 NAAA (0.61) HTTTSHRNAAAHPGDLMNA
SCHEMBL21210751 0.80 NAAA (0.59) HTTTSHRNAAAHPGDLMNA
SCHEMBL29038547 0.77 NPC1 (0.58) HTTTSHRNAAAHPGDLMNA
SCHEMBL29038555 0.77 NPC1 (0.58) HTTTSHRNAAAHPGDLMNA
SCHEMBL6358755 0.77 HTT (0.66) HTTTSHRNAAAHPGDLMNA
SCHEMBL161560 0.77 HTT (0.66) HTTTSHRNAAAHPGDLMNA
SCHEMBL7470862 0.77 FAAH (0.47) HPGDALDH1A1KDM4E
SCHEMBL17028145 0.77 HTT (0.60) HTTTSHRNAAAHPGDLMNA
SCHEMBL8597516 0.76 HTT (0.52) HTTTSHRNAAAHPGDLMNA

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