SCHEMBL1379287

SCHEMBL1379287

CC(CNC(=O)N1CCNC(C(N)=O)C1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
EPHX2 P34913 1/20 0.40
CFD P00746 2/20 0.39
TP53 P04637 1/20 0.39
TPSAB1 Q15661 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AOC3 Q16853 1/20 0.37

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
SCHEMBL1380848 0.81 CACNA2D1 (0.51) KMT2A
SCHEMBL5193941 0.76 POLB (0.57) NPC1RAB9ATP53SMN1; SMN2
SCHEMBL13873879 0.73 EPHX2 (0.60) KMT2ATAAR1NPC1RAB9AEPHX2
SCHEMBL20116677 0.72 TAAR1 (0.54) KMT2ATAAR1NPC1RAB9AEPHX2
SCHEMBL6185437 0.72 GLA (0.49) KMT2ASMN1; SMN2
SCHEMBL13873727 0.71 TAAR1 (0.47) KMT2ATAAR1NPC1RAB9AEPHX2
SCHEMBL30743851 0.71 AGTR2 (0.52) KMT2ASMN1; SMN2
SCHEMBL13873847 0.70 CYP2C9 (0.54) TAAR1NPC1RAB9AEPHX2TP53
SCHEMBL5635599 0.70 LMNA (0.41) KMT2ATP53TPSAB1
SCHEMBL21611301 0.70 ALDH1A1 (0.60) TAAR1NPC1RAB9ATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4825664-B2 2011-11-30 JP claimed
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP claimed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 WO claimed
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP disclosed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 WO disclosed