SCHEMBL13657222

SCHEMBL13657222

CC(C)[C@H](c1cc2cc(Cl)ccc2n1Cc1ccccc1)N(CCCN)C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 17/20 0.59
KCNH2 Q12809 2/20 0.59
MAP1LC3B Q9GZQ8 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
KIF23 Q02241 1/20 0.50
CCR2 P41597 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL1043685 1.00 KIF11 (0.59) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL1044036 0.95 KIF11 (0.67) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL1043978 0.86 KIF11 (0.49) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL12391890 0.85 KIF11 (0.74) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL5753590 0.84 KIF11 (0.76) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL5863987 0.83 KIF11 (0.66) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL1041439 0.82 KIF11 (0.81) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL3494904 0.82 KIF11 (0.81) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL3496153 0.81 KIF11 (0.80) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL3496152 0.81 KIF11 (0.80) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19

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
US-7608723-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide;kinesin spindle protein modulators; anticarcinogenic agents; in vivo stability, bio-availability; diagnosis/medical/;antitumor agents hyperplasia; restinosis; antiinflammatory agents; cardiac hypertrophy NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-10-27 US disclosed
US-7608723-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide;kinesin spindle protein modulators; anticarcinogenic agents; in vivo stability, bio-availability; diagnosis/medical/;antitumor agents hyperplasia; restinosis; antiinflammatory agents; cardiac hypertrophy NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-10-27 US disclosed