SCHEMBL7413541

SCHEMBL7413541

CCCCCCOC(=O)NC(=N)c1ccc(C(N)c2nc3cc(C(C)(C(=O)N4CCCC4)N(C)C(=O)OCC)ccc3n2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.38
F10 P00742 7/20 0.38
PLG P00747 3/20 0.37
SIRT2 Q8IXJ6 3/20 0.35
CNR1 P21554 1/20 0.34
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NR1I2 O75469 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
SLC6A2 P23975 1/20 0.30
AGTR1 P30556 1/20 0.30
SLC6A3 Q01959 1/20 0.30
SCN5A Q14524 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7412758 1.00 F2 (0.38) F2F10PLGSIRT2CNR1
SCHEMBL7488072 0.97 F2 (0.39) F2F10PLGSIRT2CNR1
SCHEMBL7411436 0.96 F2 (0.38) F2F10PLGSIRT2CNR1
SCHEMBL7408746 0.95 F2 (0.40) F2F10PLGSIRT2CNR1
SCHEMBL7410854 0.95 F2 (0.40) F2F10PLGSIRT2CNR1
SCHEMBL7423449 0.94 F2 (0.38) F2F10PLGSIRT2CNR1
SCHEMBL7415705 0.94 F2 (0.38) F2F10PLGSIRT2CNR1
SCHEMBL7409414 0.94 F2 (0.40) F2F10PLGSIRT2CNR1
SCHEMBL7418083 0.94 F2 (0.41) F2F10PLGSIRT2ALDH1A1
SCHEMBL7417231 0.90 F2 (0.38) F2F10PLGSIRT2ALDH1A1

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-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP disclosed
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US disclosed