SCHEMBL9412685

SCHEMBL9412685

COC(=O)CCNC(=O)c1cc2nc(CCC3CCNCC3)n(C)c2cc1O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 11/20 0.38
▸ ITGA2B P08514 11/20 0.38
▸ MAPT P10636 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PKM P14618 1/20 0.35

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
SCHEMBL9412599 0.90 HTR4 (0.38) ITGB3ITGA2BMAPTPKM
SCHEMBL9412438 0.90 ITGB3 (0.38) ITGB3ITGA2BMAPTPOLB
SCHEMBL9412475 0.90 HTR4 (0.42) ITGB3ITGA2BMAPTNPC1RAB9A
SCHEMBL9412627 0.89 ITGB3 (0.37) ITGB3ITGA2BPOLB
SCHEMBL9412623 0.85 MAPT (0.46) ITGB3ITGA2BMAPTPOLBNPC1
SCHEMBL9412536 0.85 ITGB3 (0.46) ITGB3ITGA2BMAPTPOLBSMN1; SMN2
SCHEMBL9412435 0.83 ITGB3 (0.46) ITGB3ITGA2BMAPT
Bromide SCHEMBL9412481 0.81 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL9412511 0.80 MAPT (0.45) ITGB3ITGA2BMAPTPOLBNPC1
SCHEMBL9412665 0.80 MAPT (0.45) ITGB3ITGA2BMAPTPOLBNPC1

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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