SCHEMBL7770048

SCHEMBL7770048

O=C(O)CCNC(c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.65
RAB9A P51151 1/20 0.65
GRM7 Q14831 1/20 0.65
TSHR P16473 3/20 0.63
CYP3A4 P08684 1/20 0.63
ALOX15 P16050 1/20 0.63
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 3/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NSD2 O96028 1/20 0.45
BLM P54132 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL8521210 0.90 LMNA (0.55) MTORRAB9AGRM7TSHRCYP3A4
SCHEMBL11328925 0.89 MTOR (0.61) MTORRAB9AGRM7TSHRCYP3A4
SCHEMBL27579422 0.87 MTOR (0.59) MTORRAB9AGRM7TSHRCYP3A4
SCHEMBL31260467 0.83 MTOR (0.59) MTORRAB9AGRM7TSHRCYP3A4
SCHEMBL25360452 0.81 CYP3A4 (0.59) CYP3A4ALOX15ALDH1A1HSD17B10LMNA
SCHEMBL2475131 0.81 NAALAD2 (0.54) MTORRAB9AGRM7ALDH1A1HSD17B10
SCHEMBL27943340 0.81 CYP3A4 (0.59) CYP3A4ALOX15ALDH1A1HSD17B10LMNA
SCHEMBL29173165 0.81 NAALAD2 (0.54) MTORRAB9AGRM7ALDH1A1HSD17B10
SCHEMBL2749557 0.81 CYP3A4 (0.59) CYP3A4ALOX15ALDH1A1HSD17B10LMNA
SCHEMBL8095249 0.80 MTOR (1.00) MTORRAB9AGRM7TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144011-A2 PRODRUG COMPOUNDS AND PROCESS FOR PREPARATION THEREOF Coulter Pharmaceutical, Inc. (US) 2001-10-17 EP claimed
WO-2000033888-A2 PRODRUG COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COULTER PHARMACEUTICAL, INC. (US) 2000-06-15 WO claimed
EP-1144011-A2 PRODRUG COMPOUNDS AND PROCESS FOR PREPARATION THEREOF Coulter Pharmaceutical, Inc. (US) 2001-10-17 EP disclosed
WO-2000033888-A9 PRODRUG COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COULTER PHARM INC (US) 2001-05-10 WO disclosed
WO-2000033888-A2 PRODRUG COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COULTER PHARMACEUTICAL, INC. (US) 2000-06-15 WO disclosed
EP-0528172-A1 (2-Alkyl-3-pyridyl)methylpiperazine derivatives as PAF antagonists J. URIACH & CIA. S.A. (ES) 1993-02-24 EP disclosed
EP-0441226-A1 (cyanomethyl)pyridines useful as PAF antagonists J. URIACH & CIA. S.A. (ES) 1991-08-14 EP disclosed