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Sugi Predict / Compounds / SCHEMBL4038688

SCHEMBL4038688

SCHEMBL4038688

Cc1cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)nc1CCl

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 5/20 0.39
▸ DPP4 P27487 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ GABRA2 P47869 1/20 0.36
▸ GABRB2 P47870 1/20 0.36

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
SCHEMBL4038685 0.86 CRHR1 (0.37) CRHR1DPP4
SCHEMBL4032322 0.85 CRHR1 (0.38) CRHR1GABRA2GABRB2
SCHEMBL3949241 0.81 KDM4E (0.41) HSD11B1
SCHEMBL4541866 0.81 PDE4B (0.38) CRHR1HSD11B1GABRA2GABRB2
SCHEMBL5187409 0.77 DPP4 (0.44) CRHR1DPP4
Hydrochloric Acid SCHEMBL4913608 0.76 DPP4 (0.43) CRHR1DPP4
SCHEMBL3102348 0.75 DPP4 (0.41) CRHR1DPP4
SCHEMBL3114685 0.75 CRHR1 (0.38) CRHR1GABRA2GABRB2
SCHEMBL4032320 0.75 CRHR1 (0.38) CRHR1
SCHEMBL4514970 0.74 L3MBTL1 (0.43) GABRA2GABRB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010492-A2 AMINOMETHYL PYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2009-01-07 — — EP disclosed
WO-2007119001-A2 AMINOMETHYL PYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-10-25 — — WO disclosed