SCHEMBL903797

SCHEMBL903797

c1cc2c(cc1-c1cnc([C@@H]3CCCN3)[nH]1)OCn1c-2cc2cc(-c3cnc([C@@H]4CCCN4)[nH]3)ccc21

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.31
SSTR3 P32745 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30

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
SCHEMBL903841 0.89
SCHEMBL903736 0.88
SCHEMBL903863 0.88
SCHEMBL10173681 0.81 SSTR3 (0.34) SSTR3SCN10A
SCHEMBL903758 0.81 KCNH2 (0.31)
SCHEMBL19225801 0.80 NR1H4 (0.32) NR1H4SSTR3
SCHEMBL10215164 0.80 NR1H4 (0.32) NR1H4SSTR3
SCHEMBL19225806 0.80 NR1H4 (0.32) NR1H4SSTR3
SCHEMBL18057083 0.80 NR1H4 (0.32) NR1H4SSTR3
SCHEMBL18978473 0.80 NR1H4 (0.32) NR1H4SSTR3

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-2012041014-A1 TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed