SCHEMBL20057794

SCHEMBL20057794

CNC(=O)c1ccc(-c2ccc(C=O)cc2)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.68
GPR119 Q8TDV5 1/20 0.47
HPGDS O60760 1/20 0.45
RXFP1 Q9HBX9 2/20 0.44
NPC1 O15118 3/20 0.44
LDHA P00338 1/20 0.44
ATM Q13315 2/20 0.43
PTPN1 P18031 2/20 0.43
MAPT P10636 2/20 0.43
PTPN6 P29350 1/20 0.43
PTPN11 Q06124 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
GRM5 P41594 1/20 0.42
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP11B1 P15538 1/20 0.41
PTPN2 P17706 1/20 0.40
PRKDC P78527 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
SCHEMBL15507078 0.83 BAZ2B (0.79) BAZ2BGPR119HPGDSRXFP1NPC1
SCHEMBL24976756 0.82 BAZ2B (0.72) BAZ2BGPR119HPGDSRXFP1NPC1
SCHEMBL1542986 0.81 BAZ2B (1.00) BAZ2BHPGDSNPC1LDHAATM
SCHEMBL2551254 0.81 LDHA (0.67) BAZ2BHPGDSRXFP1NPC1LDHA
SCHEMBL24212110 0.81 HDAC6 (0.53) ALDH1A1MKNK1MKNK2SMN1; SMN2
SCHEMBL7962334 0.81 BAZ2B (0.74) BAZ2BHPGDSMAPTMKNK1MKNK2
SCHEMBL944150 0.79 HDAC2 (0.59) ALDH1A1MKNK1MKNK2SMN1; SMN2
SCHEMBL12409679 0.77 BAZ2B (0.65) BAZ2BRXFP1NPC1ATMPTPN1
SCHEMBL30747787 0.75 CYP11B1 (0.56) RXFP1NPC1LDHAALDH1A1RAB9A
SCHEMBL28682644 0.75 CYP11B1 (0.56) RXFP1NPC1LDHAALDH1A1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2892888-B1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-04-18 EP disclosed