SCHEMBL7100764

SCHEMBL7100764

CC(C)C[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)N1C(=O)N(Cc2ccc(NC(=O)Nc3ccccc3)cc2)C2(CCCC2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 13/20 0.38
ITGA4 P13612 13/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
NPY1R P25929 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
SCHEMBL7105091 0.99 ITGB1 (0.38) ITGB1ITGA4LMNAGAANPC1
SCHEMBL1818203 0.99 ITGB1 (0.38) ITGB1ITGA4LMNAGAANPC1
SCHEMBL7106417 0.94 ITGB1 (0.47) ITGB1ITGA4
SCHEMBL7103773 0.93 ITGB1 (0.47) ITGB1ITGA4
SCHEMBL1818168 0.93 ITGB1 (0.47) ITGB1ITGA4
SCHEMBL7103721 0.93 LMNA (0.39) ITGB1ITGA4LMNAGAANPC1
SCHEMBL1816355 0.92 LMNA (0.38) ITGB1ITGA4LMNAGAANPC1
SCHEMBL1818531 0.92 LMNA (0.38) ITGB1ITGA4LMNAGAANPC1
SCHEMBL7103777 0.91 LMNA (0.37) ITGB1ITGA4LMNAGAANPC1
SCHEMBL7107550 0.90 LMNA (0.37) ITGB1ITGA4LMNAGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183241-B1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA GMBH (DE) 2003-09-17 EP disclosed
US-6399643-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-04 US disclosed
EP-1183241-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2002-03-06 EP disclosed
WO-2000069831-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-23 WO disclosed