SCHEMBL25973972

SCHEMBL25973972

Oc1ccc(-c2nccnc2Oc2ccc(C(F)(F)F)cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.39
▸ ALOX5AP P20292 2/20 0.38
▸ FEN1 P39748 2/20 0.38
▸ CYP17A1 P05093 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP19A1 P11511 2/20 0.38
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 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
SCHEMBL25973903 0.87 NPC1 (0.39) TRPV1NPC1CASP3RAB9ASENP8
SCHEMBL25973973 0.86 THRB (0.41) TRPV1PDE10ARAB9A
SCHEMBL25340813 0.85 KCNH2 (0.38) TRPV1ALOX5APFEN1PDE10ARAB9A
SCHEMBL30519411 0.85 KCNH2 (0.38) TRPV1ALOX5APFEN1PDE10ARAB9A
SCHEMBL25375442 0.85 FEN1 (0.38) ALOX5APFEN1RAB9A
SCHEMBL25973899 0.82 FEN1 (0.51) ALOX5APFEN1PDE10A
SCHEMBL25974745 0.82 KIF11 (0.51) PDE10ANPC1RAB9A
SCHEMBL25341793 0.80 TRPV1 (0.47) TRPV1RAB9A
SCHEMBL30519393 0.80 TRPV1 (0.47) TRPV1RAB9A
SCHEMBL25975488 0.80 PDE10A (0.35) TRPV1PDE10ANPC1CASP3RAB9A

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-2023146513-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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