SCHEMBL7368633

SCHEMBL7368633

COC(=O)C=CCN(CCc1ccc(C=NN)cc1)c1cccc(C=NN)c1

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 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
SCHEMBL7368094 0.88 CA1 (0.38) NR1H4
Hydrochloric Acid SCHEMBL7463042 0.78 F2 (0.38)
Trifluoroacetic Acid SCHEMBL7459292 0.77 F2 (0.44)
SCHEMBL7368632 0.77 F2 (0.51)
SCHEMBL7361984 0.76 FFAR1 (0.40)
SCHEMBL7361986 0.76 FFAR1 (0.40)
SCHEMBL7360778 0.76 SMN1; SMN2 (0.41)
Trifluoroacetic Acid SCHEMBL7454448 0.72 F2 (0.43)
SCHEMBL7360137 0.72 CA1 (0.36) NR1H4
SCHEMBL7363933 0.71 F2 (0.36)

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-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed