SCHEMBL10413779

SCHEMBL10413779

CCNC(=O)N1CCN(CCCC(C)c2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
TSHR P16473 1/20 0.66
ALOX12 P18054 1/20 0.66
MAPK1 P28482 1/20 0.66
MTOR P42345 1/20 0.66
RAB9A P51151 1/20 0.66
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
BLM P54132 1/20 0.65
PMP22 Q01453 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.48
HRH2 P25021 2/20 0.47

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
SCHEMBL10509599 0.88 FAAH (0.64) FAAHCYP3A4CYP2D6TSHRALOX12
Hydrochloric Acid SCHEMBL10510024 0.87 KMT2A (0.81) FAAHCYP3A4CYP2D6TSHRALOX12
Amperozide SCHEMBL340961 0.80 CYP3A4 (1.00) FAAHCYP3A4CYP2D6TSHRALOX12
Amperozide SCHEMBL1321270 0.79 MEN1 (1.00) FAAHCYP3A4CYP2D6TSHRALOX12
Amperozide SCHEMBL17360644 0.78 CYP3A4 (0.95) FAAHCYP3A4CYP2D6TSHRALOX12
SCHEMBL9809310 0.78 HRH1 (0.69) FAAHCYP3A4CYP2D6TSHRALOX12
Hydrochloric Acid SCHEMBL10415232 0.78 FAAH (0.63) FAAHCYP3A4CYP2D6TSHRALOX12
SCHEMBL10415796 0.78 HRH1 (0.65) FAAHCYP3A4CYP2D6TSHRALOX12
Hydrochloric Acid SCHEMBL10510286 0.76 MEN1 (0.83) FAAHCYP3A4CYP2D6TSHRALOX12
SCHEMBL27320487 0.76 KDM4E (0.52) KDM4ESLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4935419-A For psychosis and depression KABI PHARMACIA AKTIEBOLAG (SE) 1990-06-19 US disclosed
EP-0136274-B1 1-PIPERAZINE CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS AB Ferrosan (SE) 1989-11-08 EP disclosed
EP-0136274-A1 1-Piperazine carboxamide derivatives, their preparation and their use in pharmaceutical compositions AB Ferrosan (SE) 1985-04-03 EP disclosed
WO-1985000811-A1 NOVEL 1-PIPERAZINECARBOXAMIDE DERIVATIVES AB FERROSAN (SE) 1985-02-28 WO disclosed