SCHEMBL20764323

SCHEMBL20764323

Nc1ccc2[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)Oc5c(F)c(F)c(F)c(F)c5F)cc43)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ABCB1 P08183 2/20 0.40
CFD P00746 4/20 0.38
POLB P06746 1/20 0.38
BAZ2B Q9UIF8 1/20 0.36

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
SCHEMBL20764163 0.88 NPC1 (0.40) HRH4NPC1RAB9AMEN1KMT2A
SCHEMBL20764389 0.87 RAB9A (0.41) HRH4NPC1RAB9AMEN1KMT2A
SCHEMBL20764181 0.85 HRH4 (0.50) HRH4NPC1RAB9AMEN1KMT2A
SCHEMBL13183290 0.83 HRH4 (0.39) HRH4NPC1RAB9AMEN1KMT2A
SCHEMBL13783567 0.83 RAB9A (0.39) HRH4NPC1RAB9AMEN1KMT2A
SCHEMBL889791 0.83 RAB9A (0.39) HRH4NPC1RAB9AMEN1KMT2A
SCHEMBL20764421 0.83 NPC1 (0.40) HRH4NPC1RAB9AMEN1KMT2A
SCHEMBL20764158 0.81 HRH4 (0.49) HRH4NPC1RAB9AKMT2A
SCHEMBL13003091 0.81 RAB9A (0.36) HRH4NPC1RAB9AMEN1KMT2A
SCHEMBL20764182 0.80 HRH4 (0.41) HRH4POLBBAZ2B

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-2019036225-A1 DUPLEX STABILIZING FLUORESCENCE QUENCHERS FOR NUCLEIC ACID PROBES ELITECHGROUP, INC. (US) 2019-02-21 WO disclosed