SCHEMBL6901612

SCHEMBL6901612

COc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@@H](CCCNC(=N)N)C(N)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
EPHX1 P07099 1/20 0.43
CASR P41180 2/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
NR1H3 Q13133 1/20 0.40
BMP1 P13497 1/20 0.40
KMT2A Q03164 1/20 0.39
ACKR3 P25106 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 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
SCHEMBL8119877 0.97 HDAC1 (0.45) CNR1CNR2EPHX1CASRHDAC1
SCHEMBL9195083 0.94 CNR1 (0.43) CNR1CNR2EPHX1CASRHDAC1
SCHEMBL9194746 0.94 CNR1 (0.43) CNR1CNR2EPHX1CASRHDAC1
Hydrochloric Acid SCHEMBL8121300 0.93 CNR1 (0.47) CNR1CNR2EPHX1CASRHDAC1
SCHEMBL8058871 0.91 ALDH1A1 (0.42) CNR1CNR2EPHX1CASRHDAC1
SCHEMBL7750620 0.91 KMT2A (0.41) CNR2ALDH1A1KMT2A
SCHEMBL1389118 0.90 CNR1 (0.41) CNR1CNR2TDP1KMT2A
SCHEMBL30905434 0.90 CNR1 (0.41) CNR1CNR2TDP1KMT2A
SCHEMBL6900020 0.90 CASR (0.38) CNR1CNR2CASRALDH1A1KMT2A
SCHEMBL8528680 0.90 TDP1 (0.36) CNR1HDAC1HDAC7TDP1KMT2A

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
EP-1337257-A4 USE OF NEUROPEPTIDE-Y ANTAGONISTS IN TREATMENT OF ALCOHOLISM UNIV CALIFORNIA (US) 2004-04-07 EP disclosed
EP-1337257-A1 USE OF NEUROPEPTIDE-Y ANTAGONISTS IN TREATMENT OF ALCOHOLISM The Regents of the University of California (US) 2003-08-27 EP disclosed
WO-2002028393-A1 USE OF NEUROPEPTIDE-Y ANTAGONISTS IN TREATMENT OF ALCOHOLISM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-04-11 WO disclosed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 WO disclosed