SCHEMBL9412536

SCHEMBL9412536

COC(=O)CCNC(=O)c1ccc2nc(CCC3CCNCC3)n(C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.46
▸ ITGA2B P08514 6/20 0.46
▸ ACSS2 Q9NR19 4/20 0.45
▸ ITGA2 P17301 1/20 0.44
▸ ROCK2 O75116 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ IDH1 O75874 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL9412623 0.93 MAPT (0.46) ITGB3ITGA2BITGA2ROCK2GAA
SCHEMBL9412511 0.88 MAPT (0.45) ITGB3ITGA2BITGA2ROCK2GAA
SCHEMBL9412665 0.88 MAPT (0.45) ITGB3ITGA2BITGA2ROCK2GAA
SCHEMBL9412452 0.87 MAPT (0.44) ITGB3ITGA2BITGA2ROCK2GAA
SCHEMBL9412685 0.85 ITGB3 (0.38) ITGB3ITGA2BMAPTSMN1; SMN2POLB
SCHEMBL9412599 0.84 HTR4 (0.38) ITGB3ITGA2BMAPT
SCHEMBL9412475 0.84 HTR4 (0.42) ITGB3ITGA2BROCK2MAPTSMN1; SMN2
SCHEMBL9412438 0.84 ITGB3 (0.38) ITGB3ITGA2BITGA2MAPTPOLB
SCHEMBL9412586 0.84 RORC (0.46) ITGB3ITGA2BITGA2ROCK2IDH1
SCHEMBL9412515 0.84 JAK2 (0.47) ITGB3ITGA2BITGA2ROCK2IDH1

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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