SCHEMBL6987841

SCHEMBL6987841

CC(=O)N(NCc1cccc2ccccc12)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
CA2 P00918 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MTNR1A P48039 1/20 0.43
POLB P06746 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL6706266 0.75 KMT2A (0.47) KMT2AMEN1MAPTHPGDTDP1
SCHEMBL5999001 0.73 NQO2 (0.62) KMT2AMEN1MAPTHPGDATM
SCHEMBL1709278 0.73 MEN1 (0.57) KMT2AMEN1MAPTHPGDATM
SCHEMBL14108276 0.71 OPRD1 (0.55) KMT2AMEN1MAPTHPGDATM
SCHEMBL14108273 0.71 MEN1 (0.55) KMT2AMEN1MAPTHPGDATM
SCHEMBL12250922 0.71 ATM (0.57) KMT2AMEN1MAPTHPGDATM
SCHEMBL22651839 0.70 CYP1A2 (0.59) KMT2AMEN1MAPTATMTDP1
SCHEMBL5697805 0.70 MEN1 (0.57) KMT2AMEN1MAPTHPGDATM
SCHEMBL22323341 0.70 MEN1 (0.66) KMT2AMEN1MAPTTDP1CA2
SCHEMBL6989120 0.70 CA2 (0.50) KMT2AMEN1MAPTHPGDCA2

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