SCHEMBL9412627

SCHEMBL9412627

COC(=O)CCNC(=O)c1cc2nc(CCC3CCNCC3)n(C)c2cc1N(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 11/20 0.37
▸ ITGA2B P08514 11/20 0.37
▸ PDE10A Q9Y233 3/20 0.36
▸ PTGES O14684 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ POLB P06746 1/20 0.34

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
Bromide SCHEMBL9412670 0.91 ITGB3 (0.45) ITGB3ITGA2BPDE10A
SCHEMBL9412685 0.89 ITGB3 (0.38) ITGB3ITGA2BPOLB
SCHEMBL9412599 0.88 HTR4 (0.38) ITGB3ITGA2B
SCHEMBL9412438 0.88 ITGB3 (0.38) ITGB3ITGA2BPOLB
SCHEMBL9412475 0.88 HTR4 (0.42) ITGB3ITGA2BPTGES
SCHEMBL9412536 0.83 ITGB3 (0.46) ITGB3ITGA2BPOLB
SCHEMBL9412623 0.83 MAPT (0.46) ITGB3ITGA2BPOLB
SCHEMBL9412435 0.81 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL9412452 0.79 MAPT (0.44) ITGB3ITGA2BPOLB
Bromide SCHEMBL9412481 0.79 ITGB3 (0.46) ITGB3ITGA2B

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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