SCHEMBL17350044

SCHEMBL17350044

CN(C/C=C/c1ccccc1)Cc1ccc2c(c1)CCCCC2

nearest known ligand 0.97

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.72

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
SCHEMBL19249860 0.99 KCNH2 (0.70) KCNH2
SCHEMBL19249395 0.97 KCNH2 (0.68) KCNH2
SCHEMBL17350025 0.91 KCNH2 (0.61) KCNH2
SCHEMBL17350038 0.88 KCNH2 (0.74) KCNH2
SCHEMBL17350034 0.87 KCNH2 (0.72) KCNH2
SCHEMBL17350032 0.87 KCNH2 (0.72) KCNH2
SCHEMBL17350043 0.87 KCNH2 (0.72) KCNH2
SCHEMBL17350042 0.86 KCNH2 (0.72) KCNH2
SCHEMBL17350023 0.86 KCNH2 (0.55) KCNH2
SCHEMBL19249305 0.85 KCNH2 (0.71) KCNH2

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
WO-2015188309-A1 6,7,8,9-四氢-5H-苯并[7]轮烯-2-烷基胺类化合物及其用途 6,7,8,9-TETRAHYDRO-5H-BENZO[7] ANNULENE-2-ALKYLAMINE COMPOUND AND USE THEREOF 华东理工大学 2015-12-17 WO disclosed