SCHEMBL18653157

SCHEMBL18653157

CC(C)(C)c1ccc(N2[C@@H](c3cc4[nH]c(C5CCCN5)nc4cc3F)CC[C@@H]2c2cc3[nH]c([C@@H]4CCCN4)nc3cc2F)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.61
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PARP1 P09874 2/20 0.33
CDC7 O00311 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
ROCK1 Q13464 2/20 0.33
DBF4 Q9UBU7 2/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL241603 1.00 SCN10A (0.61) SCN10AALDH1A1LMNAMAPTHTT
SCHEMBL2756437 0.83 SCN10A (0.61) SCN10AALDH1A1LMNAMAPTHTT
SCHEMBL1592503 0.83 SCN10A (0.61) SCN10AALDH1A1LMNAMAPTHTT
SCHEMBL3265964 0.83 SCN10A (0.61) SCN10AALDH1A1LMNAMAPTHTT
SCHEMBL240766 0.83 SCN10A (0.71) SCN10AALDH1A1LMNAMAPTHTT
SCHEMBL1592500 0.83 SCN10A (0.61) SCN10AALDH1A1LMNAMAPTHTT
SCHEMBL239964 0.82 SCN10A (0.43) SCN10ACDC7CCNE1CDK2ROCK1
SCHEMBL239486 0.82 SCN10A (0.53) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL2275135 0.82 SCN10A (0.53) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL240231 0.82 SCN10A (0.53) SCN10APARP1CDC7CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 EP disclosed