SCHEMBL6989152

SCHEMBL6989152

N=C(NCc1cccc2ccccc12)NC(=O)N1CCN(C(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.54
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 1/20 0.49
BCHE P06276 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
TPSAB1 Q15661 1/20 0.45
GFER P55789 1/20 0.45
P2RX7 Q99572 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
HTR7 P34969 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL6694717 0.88 KDM4E (0.60) FAAHMEN1KMT2AMAPTKDM4E
SCHEMBL6698803 0.87 FAAH (0.47) FAAHMEN1KMT2AMAPTBCHE
SCHEMBL6990296 0.86 FAAH (0.55) FAAHMEN1KMT2AMAPTBCHE
SCHEMBL6695899 0.85 KMT2A (0.61) FAAHMEN1KMT2AMAPTGFER
SCHEMBL6698763 0.83 MEN1 (0.61) FAAHMEN1KMT2APOLB
SCHEMBL6702949 0.83 HTT (0.53) FAAHMEN1KMT2AMAPTALDH1A1
SCHEMBL6699343 0.83 EPHX2 (0.47) FAAHMEN1KMT2AMAPTBCHE
SCHEMBL6699018 0.81 FAAH (0.55) FAAHMEN1KMT2AMAPTKDM4E
SCHEMBL6698809 0.81 HTR7 (0.68) FAAHMAPTHTR7GAA
SCHEMBL6701308 0.77 KDM4E (0.61) MEN1KMT2AP2RX7KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1332127-A2 AMIDINO-UREA SEROTONIN RECEPTOR LIGANDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND METHODS FOR THEIR SNYTHESIS Warner-Lambert Company LLC (US) 2003-08-06 EP disclosed
WO-2002036554-A2 AMIDINO-UREA SEROTONIN RECEPTOR LIGANDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND METHODS FOR THEIR SNYTHESIS WARNER-LAMBERT COMPANY LLC (US) 2002-05-10 WO disclosed