SCHEMBL8784456

SCHEMBL8784456

Cn1c(=O)c(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2ccccc2)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.70
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL8786836 0.88 TACR1 (0.58) TACR1MEN1NPC1RAB9AKMT2A
SCHEMBL8786435 0.82 TACR1 (0.73) TACR1
SCHEMBL8786531 0.81 TACR1 (0.76) TACR1
SCHEMBL15678903 0.79 TACR1 (1.00) TACR1
SCHEMBL14463974 0.79 TACR1 (1.00) TACR1
SCHEMBL8788726 0.78 TACR1 (0.71) TACR1
SCHEMBL5317173 0.77 TACR1 (0.62) TACR1MEN1KMT2A
SCHEMBL8785732 0.77 TACR1 (1.00) TACR1
SCHEMBL8786133 0.76 TACR1 (0.70) TACR1
SCHEMBL5315215 0.76 TACR1 (1.00) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0585913-B1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-12-29 EP disclosed
US-5700810-A Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-23 US disclosed
US-5482967-A LOWERING CHOLESTEROL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-09 US disclosed
EP-0585913-A2 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-09 EP disclosed