SCHEMBL3971956

SCHEMBL3971956

N#Cc1cccc(OCCNC(=O)C2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.73
F2 P00734 2/20 0.51
ELANE P08246 1/20 0.51
CHRM4 P08173 1/20 0.50

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
SCHEMBL14132271 0.84 F10 (1.00) F10F2ELANE
SCHEMBL3963855 0.82 SMN1; SMN2 (0.57) F10
SCHEMBL3964755 0.80 NPSR1 (0.53) F10CHRM4
SCHEMBL3971725 0.80 CHRM4 (0.65) CHRM4
SCHEMBL3964336 0.80 NPC1 (0.54) F10CHRM4
Trifluoroacetic Acid SCHEMBL3973028 0.80 F10 (0.90) F10F2ELANE
SCHEMBL3974111 0.79 EPHX2 (0.49) F10CHRM4
SCHEMBL3968898 0.79 HPGD (0.63)
SCHEMBL6873236 0.77 F10 (0.59) F10CHRM4
SCHEMBL6872175 0.76 F10 (0.48) F10CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed