SCHEMBL7447141

SCHEMBL7447141

CCOC(C=O)CNC(C)(C(=O)N1CCCC1)c1ccc2[nH]c(CCNc3ccc(C#N)cc3)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 2/20 0.37
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
CASR P41180 1/20 0.33
DPP7 Q9UHL4 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
P2RY12 Q9H244 1/20 0.31
GNRHR P30968 2/20 0.30
CSNK1A1 P48729 1/20 0.30
CSNK1D P48730 1/20 0.30
GSK3B P49841 1/20 0.30
CSNK1G2 P78368 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
SCHEMBL7450500 0.86 MLLT1 (0.39) MLLT1F2F10CASRNPC1
SCHEMBL7446447 0.86 F2 (0.40) MLLT1F2F10CASRNPC1
SCHEMBL7447512 0.81 MLLT1 (0.37) MLLT1F2F10CASRNPC1
SCHEMBL7421110 0.79 MLLT1 (0.38) MLLT1NPC1ALDH1A1LMNAMAPT
SCHEMBL7445649 0.77 MLLT1 (0.37) MLLT1F2F10NPC1ALDH1A1
SCHEMBL7442317 0.74 F2 (0.54) MLLT1F2F10NPC1ALDH1A1
SCHEMBL7450241 0.73 F2 (0.57) MLLT1F2F10
SCHEMBL7454804 0.72 F2 (0.44) F2F10RAB9A
SCHEMBL7449708 0.70 MLLT1 (0.42) MLLT1DPP7
SCHEMBL7415304 0.67 F2 (0.59) F2F10NPC1ALDH1A1RAB9A

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-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO disclosed