SCHEMBL9412435

SCHEMBL9412435

COc1cc2c(cc1C(=O)NCCC(=O)O)nc(CCC1CCNCC1)n2C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 16/20 0.46
▸ ITGA2B P08514 16/20 0.46
▸ HTR4 Q13639 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ ITGA2 P17301 1/20 0.41

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
SCHEMBL9412475 0.93 HTR4 (0.42) ITGB3ITGA2BHTR4MAPT
Bromide SCHEMBL9412481 0.87 ITGB3 (0.46) ITGB3ITGA2BITGA2
Bromide SCHEMBL9412670 0.85 ITGB3 (0.45) ITGB3ITGA2BITGA2
SCHEMBL9412685 0.83 ITGB3 (0.38) ITGB3ITGA2BMAPT
SCHEMBL9412599 0.83 HTR4 (0.38) ITGB3ITGA2BHTR4MAPT
SCHEMBL9412438 0.83 ITGB3 (0.38) ITGB3ITGA2BMAPTITGA2
SCHEMBL9188544 0.82 ITGB3 (0.57) ITGB3ITGA2BMAPTITGA2
Bromide SCHEMBL9412462 0.81 ITGB3 (0.56) ITGB3ITGA2BMAPTITGA2
SCHEMBL9412627 0.81 ITGB3 (0.37) ITGB3ITGA2B
SCHEMBL9412432 0.81 HTR4 (0.39) ITGB3ITGA2BHTR4MAPT

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
Send feedback