SCHEMBL12684516

SCHEMBL12684516

CC(C)(C)c1ccc(N2C(c3ccc(N)c(N)c3)CCC2c2ccc3[nH]c([C@@H]4CCCN4)nc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.55
PARP1 P09874 5/20 0.34
CDC7 O00311 2/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
ROCK1 Q13464 2/20 0.32
DBF4 Q9UBU7 2/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL2756437 0.94 SCN10A (0.61) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL1592500 0.94 SCN10A (0.61) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL1592503 0.94 SCN10A (0.61) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL3265964 0.94 SCN10A (0.61) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL15458266 0.88 SCN10A (0.53) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL15457856 0.87 SCN10A (0.52) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL240766 0.87 SCN10A (0.71) SCN10AALDH1A1LMNAMAPTHTT
SCHEMBL18653106 0.84 SCN10A (0.49) SCN10ACDC7CCNE1CDK2ROCK1
SCHEMBL1983260 0.82 SCN10A (0.47) SCN10A
SCHEMBL1982269 0.82 SCN10A (0.47) SCN10A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2692346-B1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative ABBVIE BAHAMAS LTD (BS) 2015-12-02 EP disclosed
WO-2012116257-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2012-08-30 WO disclosed
WO-2012051361-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-19 WO disclosed