SCHEMBL9412438

SCHEMBL9412438

CNc1cc2c(cc1C(=O)NCCC(=O)OC)nc(CCC1CCNCC1)n2C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 16/20 0.38
▸ ITGA2B P08514 16/20 0.38
▸ ITGA2 P17301 1/20 0.36
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 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
SCHEMBL9412685 0.90 ITGB3 (0.38) ITGB3ITGA2BPOLBMAPT
Bromide SCHEMBL9412481 0.90 ITGB3 (0.46) ITGB3ITGA2BITGA2
SCHEMBL9412599 0.90 HTR4 (0.38) ITGB3ITGA2BMAPT
SCHEMBL9412475 0.90 HTR4 (0.42) ITGB3ITGA2BMAPT
SCHEMBL9412627 0.88 ITGB3 (0.37) ITGB3ITGA2BPOLB
SCHEMBL9412623 0.84 MAPT (0.46) ITGB3ITGA2BITGA2POLBMAPT
SCHEMBL9412536 0.84 ITGB3 (0.46) ITGB3ITGA2BITGA2POLBMAPT
SCHEMBL9412435 0.83 ITGB3 (0.46) ITGB3ITGA2BITGA2MAPT
SCHEMBL9412511 0.79 MAPT (0.45) ITGB3ITGA2BITGA2POLBMAPT
SCHEMBL9412665 0.79 MAPT (0.45) ITGB3ITGA2BITGA2POLBMAPT

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 1 patent. 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 disclosed
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