SCHEMBL9412439

SCHEMBL9412439

O=C(O)CCNC(=O)c1ccc2c(c1)nc(CCC1CCNCC1)n2C1CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 12/20 0.56
▸ ITGA2B P08514 12/20 0.56
▸ ITGA2 P17301 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC1 Q13547 1/20 0.43
▸ RORC P51449 3/20 0.43
▸ IDH1 O75874 2/20 0.42

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
SCHEMBL9412586 0.90 RORC (0.46) ITGB3ITGA2BITGA2HDAC6HDAC1
SCHEMBL9188544 0.88 ITGB3 (0.57) ITGB3ITGA2BITGA2
Bromide SCHEMBL9412462 0.87 ITGB3 (0.56) ITGB3ITGA2BITGA2
SCHEMBL9412548 0.86 HPGD (0.45) ITGB3ITGA2BHDAC6HDAC1RORC
Bromide SCHEMBL9412639 0.83 ITGB3 (0.51) ITGB3ITGA2BITGA2HDAC1
Bromide SCHEMBL9412577 0.81 ITGB3 (0.49) ITGB3ITGA2BITGA2HDAC1
Bromide SCHEMBL9412436 0.80 ITGB3 (0.47) ITGB3ITGA2BITGA2HDAC1
SCHEMBL9412623 0.79 MAPT (0.46) ITGB3ITGA2BITGA2HDAC6IDH1
Bromide SCHEMBL9412576 0.79 ITGB3 (0.47) ITGB3ITGA2BITGA2HDAC1
SCHEMBL9412611 0.79 MAPT (0.51) ITGB3ITGA2BITGA2

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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