SCHEMBL6016850

SCHEMBL6016850

CN1CCN(N)CC1.O=C(O)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 17/20 0.56
HRH3 Q9Y5N1 3/20 0.56
ALOX15 P16050 1/20 0.53
HRH1 P35367 1/20 0.49
HTR3A P46098 1/20 0.43
RHEB Q15382 1/20 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
SCHEMBL523253 0.83 RHEB (0.54) HRH4HRH3RHEB
SCHEMBL602043 0.81 HRH4 (0.81) HRH4HRH3ALOX15HRH1
SCHEMBL6016849 0.79 HRH4 (0.64) HRH4HRH3ALOX15HRH1
Maleic Acid SCHEMBL602941 0.78 ALOX15 (0.84) HRH4HRH3ALOX15HRH1
Maleic Acid SCHEMBL20162482 0.78 ALOX15 (0.84) HRH4HRH3ALOX15HRH1
Maleic Acid SCHEMBL29404707 0.78 ALOX15 (0.84) HRH4HRH3ALOX15HRH1
Fumaric Acid SCHEMBL602943 0.78 ALOX15 (0.84) HRH4HRH3ALOX15HRH1
SCHEMBL605331 0.77 HRH4 (0.59) HRH4HRH3ALOX15HRH1
Jnj-7777120 SCHEMBL18486196 0.75 HRH4 (0.80) HRH4HRH3ALOX15HRH1
SCHEMBL25812917 0.74 HRH4 (0.48) HRH4HRH3ALOX15RHEB

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-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP disclosed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed