SCHEMBL9412511

SCHEMBL9412511

COC(=O)CCCNC(=O)c1ccc2c(c1)nc(CCC1CCNCC1)n2C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ POLB P06746 1/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ ITGB3 P05106 5/20 0.42
▸ ITGA2B P08514 5/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ ITGA2 P17301 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 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
SCHEMBL9412623 0.95 MAPT (0.46) MAPTPOLBRAB9AITGB3ITGA2B
SCHEMBL9412665 0.91 MAPT (0.45) MAPTPOLBRAB9AITGB3ITGA2B
SCHEMBL9412452 0.91 MAPT (0.44) MAPTPOLBRAB9AITGB3ITGA2B
SCHEMBL9412536 0.88 ITGB3 (0.46) MAPTPOLBITGB3ITGA2BSMN1; SMN2
SCHEMBL9188544 0.88 ITGB3 (0.57) MAPTPOLBITGB3ITGA2BITGA2
Bromide SCHEMBL9412462 0.87 ITGB3 (0.56) MAPTPOLBITGB3ITGA2BITGA2
SCHEMBL9412586 0.86 RORC (0.46) ITGB3ITGA2BROCK2ITGA2BRD4
SCHEMBL9412612 0.85 ITGB3 (0.42) MAPTPOLBRAB9AITGB3ITGA2B
SCHEMBL9412727 0.85 POLB (0.46) MAPTPOLBRAB9AITGB3ITGA2B
SCHEMBL9412697 0.85 SMN1; SMN2 (0.47) MAPTITGB3ITGA2BNPC1SMN1; SMN2

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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