SCHEMBL6166332

SCHEMBL6166332

COc1cc(CN2C(=O)N([C@@H](CC3CC3)C(=O)N[C@H](C)CCO)C(=O)C2(C)C)ccc1NC(=O)Nc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.37
ITGA4 P13612 2/20 0.37
CHEK1 O14757 3/20 0.36
NTRK1 P04629 1/20 0.35
NTRK2 Q16620 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RCE1 Q9Y256 1/20 0.35
CCKBR P32239 1/20 0.34

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
SCHEMBL6166340 1.00 ITGB1 (0.37) ITGB1ITGA4CHEK1NTRK1NTRK2
SCHEMBL6163576 0.92 ITGA4 (0.40) ITGB1ITGA4CHEK1MEN1MAPT
SCHEMBL6163582 0.92 ITGA4 (0.40) ITGB1ITGA4CHEK1MEN1MAPT
SCHEMBL6166269 0.92 ITGB1 (0.40) ITGB1ITGA4CHEK1NTRK1NTRK2
SCHEMBL6166262 0.92 ITGB1 (0.40) ITGB1ITGA4CHEK1NTRK1NTRK2
SCHEMBL6166201 0.90 ITGB1 (0.42) ITGB1ITGA4CHEK1NTRK1NTRK2
SCHEMBL4671581 0.85 ITGA4 (0.46) ITGB1ITGA4CHEK1MEN1MAPT
SCHEMBL4671585 0.85 ITGA4 (0.46) ITGB1ITGA4CHEK1MEN1MAPT
SCHEMBL6162555 0.85 ITGA4 (0.46) ITGB1ITGA4CHEK1MEN1MAPT
SCHEMBL6162542 0.85 ITGA4 (0.46) ITGB1ITGA4CHEK1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373249-B1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTIINFLAMATORY AGENT AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
EP-1373249-A1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT Aventis Pharma Deutschland GmbH (DE) 2004-01-02 EP disclosed
WO-2002072573-A1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-09-19 WO disclosed