SCHEMBL25954052

SCHEMBL25954052

Cn1cnc(=O)c2ccc(-c3nccnc3Sc3ccc(C(F)(F)F)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.37
▸ KDM2B Q8NHM5 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ MCHR1 Q99705 1/20 0.35
▸ SCN9A Q15858 6/20 0.32
▸ SCN5A Q14524 3/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ GSK3B P49841 1/20 0.31

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
SCHEMBL30544122 1.00 TRPV1 (0.37) TRPV1KDM2BKDM4CMCHR1SCN9A
SCHEMBL25429595 0.86 TRPV1 (0.37) TRPV1KDM2BKDM4CMCHR1SCN9A
SCHEMBL25952316 0.79 PDE10A (0.32) —
SCHEMBL25430344 0.77 TRPV1 (0.41) TRPV1KIF11GSK3B
SCHEMBL25430317 0.73 HSD17B10 (0.53) TRPV1EPHX2KIF11GSK3B
SCHEMBL30544079 0.71 GPR142 (0.36) TRPV1CYP1A2CYP3A4GAACYP2D6
SCHEMBL25341274 0.70 KIF11 (0.50) TRPV1HPGDKIF11GSK3B
SCHEMBL25340553 0.70 KIF11 (0.50) TRPV1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL25973977 0.70 TRPV1 (0.39) TRPV1CYP1A2CYP3A4GAACYP2D6
SCHEMBL30544147 0.70 CYP1A2 (0.33) TRPV1KDM2BKDM4CCYP1A2CYP3A4

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-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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