SCHEMBL25977136

SCHEMBL25977136

CSc1ccc(-c2ncccc2Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.40
SLC6A4 P31645 2/20 0.39
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK13 O15264 3/20 0.38
MAPK12 P53778 3/20 0.38
MAPK11 Q15759 3/20 0.38
MAPK14 Q16539 3/20 0.38
TOP1 P11387 1/20 0.38
AHR P35869 1/20 0.37
P2RY1 P47900 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GCGR P47871 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 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
SCHEMBL25340405 0.81 PTGS2 (0.48) TRPV1
SCHEMBL25977697 0.79 SLC6A4 (0.45) TRPV1SLC6A4HTR2AKCNH2SLC6A2
SCHEMBL25377773 0.78 TSHR (0.47) TRPV1AHR
SCHEMBL2882139 0.73 AHR (0.50) AHRP2RY1ALDH1A1MAPTATM
SCHEMBL25378083 0.71 SLC6A4 (0.43) TRPV1SLC6A4KCNH2AHRMAPT
SCHEMBL25338761 0.71 KMT2A (0.43) TRPV1SLC6A4HTR2AKCNH2AHR
SCHEMBL1328756 0.71 KCNH2 (0.45) TRPV1KCNH2MAPK14AHRMAPT
SCHEMBL25427626 0.70 HSD17B10 (0.51) TRPV1MAPK14ALDH1A1
SCHEMBL695441 0.69 ALDH1A1 (0.43) SLC6A4SLC6A2SLC6A3ALDH1A1ATM
SCHEMBL2861648 0.69 TRPV1 (0.68) TRPV1TOP1ALDH1A1

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