SCHEMBL7415299

SCHEMBL7415299

CCOC(=O)CCNC(C)(C(=O)N1CCCC1)c1ccc2c(c1)nc(C(N)c1ccc(C#N)cc1)n2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.41
F10 P00742 5/20 0.41
PLG P00747 3/20 0.35
DPP7 Q9UHL4 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP14 P54578 4/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ADORA2A P29274 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ITK Q08881 4/20 0.32
P2RY12 Q9H244 1/20 0.31
AURKA O14965 1/20 0.31
MAP4K4 O95819 1/20 0.31
CHEK2 O96017 1/20 0.31

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
SCHEMBL7415304 0.83 F2 (0.59) F2F10ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7414747 0.83 F2 (0.37) F2F10PLGDPP7ALDH1A1
SCHEMBL7101549 0.83 F2 (0.38) F2F10PLGDPP7ALDH1A1
SCHEMBL7096731 0.83 F2 (0.37) F2F10PLGDPP7ALDH1A1
SCHEMBL7417175 0.83 F2 (0.36) F2F10PLGDPP7ALDH1A1
SCHEMBL7412684 0.82 F2 (0.35) F2F10PLGDPP7ALDH1A1
SCHEMBL7413176 0.81 F2 (0.40) F2F10PLGDPP7SMN1; SMN2
SCHEMBL7096708 0.81 F2 (0.40) F2F10PLGDPP7USP14
SCHEMBL4450198 0.79 F2 (0.61) F2F10PLG
SCHEMBL4451691 0.77 F2 (0.64) F2F10ALDH1A1KDM4ESMN1; SMN2

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