SCHEMBL17287935

SCHEMBL17287935

c1cc(N2C(c3ccc4nc([C@@H]5CCCN5)[nH]c4c3)CC[C@H]2c2ccc3nc([C@@H]4CCCN4)[nH]c3c2)ccc1C1CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.54
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PARP1 P09874 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL237415 1.00 SCN10A (0.54) SCN10ANPC1RAB9APARP1KDM4E
SCHEMBL240426 0.90 SCN10A (0.53) SCN10APARP1
SCHEMBL240073 0.90 SCN10A (0.47) SCN10A
SCHEMBL12727049 0.90 SCN10A (0.55) SCN10APARP1
SCHEMBL2756363 0.90 SCN10A (0.55) SCN10APARP1
SCHEMBL237254 0.90 SCN10A (0.55) SCN10APARP1
SCHEMBL242682 0.88 SCN10A (0.51) SCN10APARP1
SCHEMBL240766 0.87 SCN10A (0.71) SCN10ANPC1RAB9AMAPT
SCHEMBL238305 0.87 SCN10A (0.50) SCN10APARP1
SCHEMBL238084 0.86 SCN10A (0.49) SCN10ANPC1RAB9APARP1

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-2692346-B1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative ABBVIE BAHAMAS LTD (BS) 2015-12-02 EP disclosed