SCHEMBL7473485

SCHEMBL7473485

CNC(=O)c1cccnc1[C]=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
P2RX7 Q99572 1/20 0.44
PLK1 P53350 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.42
TYK2 P29597 3/20 0.40
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
AGER Q15109 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
SCHEMBL8833113 0.80 KDM4E (0.42) GAAP2RX7LMNAKDM4ETDP1
SCHEMBL8834494 0.79 TDP1 (0.53) LMNAPOLBKDM4ETDP1L3MBTL1
SCHEMBL8833877 0.78 KDM4E (0.59) GAALMNAKDM4ETDP1L3MBTL1
SCHEMBL6164224 0.77 PARP1 (0.53) P2RX7LMNAKDM4ETDP1L3MBTL1
SCHEMBL161745 0.77 GAA (0.48) GAAP2RX7PLK1LMNAPOLB
SCHEMBL4766191 0.77 P2RX7 (0.71) GAAP2RX7PLK1LMNAPOLB
SCHEMBL93650 0.77 GAA (0.48) GAAP2RX7PLK1LMNAPOLB
SCHEMBL7475869 0.76 HTT (0.55) LMNAKDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL7473927 0.76 P2RX7 (0.40) P2RX7LMNAKDM4ETDP1L3MBTL1
SCHEMBL4078561 0.76 KMT2A (0.49) GAALMNAKDM4ETDP1L3MBTL1

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