SCHEMBL9188544

SCHEMBL9188544

Cn1c(CCC2CCNCC2)nc2cc(C(=O)NCCC(=O)O)ccc21

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 14/20 0.57
▸ ITGA2B P08514 14/20 0.57
▸ ITGA2 P17301 1/20 0.54
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
Bromide SCHEMBL9412462 0.99 ITGB3 (0.56) ITGB3ITGA2BITGA2POLBGAA
SCHEMBL9412623 0.91 MAPT (0.46) ITGB3ITGA2BITGA2POLBGAA
SCHEMBL9412439 0.88 ITGB3 (0.56) ITGB3ITGA2BITGA2
SCHEMBL9412511 0.88 MAPT (0.45) ITGB3ITGA2BITGA2POLBGAA
Bromide SCHEMBL9412639 0.87 ITGB3 (0.51) ITGB3ITGA2BITGA2MAPT
SCHEMBL9412612 0.86 ITGB3 (0.42) ITGB3ITGA2BITGA2POLBGAA
SCHEMBL9412727 0.86 POLB (0.46) ITGB3ITGA2BITGA2POLBGAA
SCHEMBL9412665 0.86 MAPT (0.45) ITGB3ITGA2BITGA2POLBGAA
SCHEMBL9412452 0.85 MAPT (0.44) ITGB3ITGA2BITGA2POLBGAA
SCHEMBL9412444 0.85 HDAC6 (0.45) ITGB3ITGA2B

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-0611660-A2 Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1994-08-24 — — EP claimed
JP-7002839-A — — None — — JP disclosed
JP-H072839-A CONDENSED FIVE-MEMBERED HETEROCYCLIC COMPOUND, ITS PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT DR KARL THOMAE GMBH 1995-01-06 — — JP disclosed
EP-0611660-A2 Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1994-08-24 — — EP disclosed
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