SCHEMBL24153514

SCHEMBL24153514

CCc1sc2ccccc2c1CC1NC(=O)C2CN(Cc3c(CC)sc4ccccc34)CCN2C1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 5/20 0.36
▸ HDAC1 Q13547 3/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ NPY1R P25929 6/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ CISD1 Q9NZ45 1/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ GHSR Q92847 2/20 0.30

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
SCHEMBL24938851 0.94 HDAC4 (0.44) HDAC4HDAC1TRPM8HDAC6CYP3A4
SCHEMBL23334084 0.91 HDAC4 (0.39) HDAC4HDAC1TRPM8NPY1RHDAC6
SCHEMBL24938956 0.90 HDAC4 (0.38) HDAC4HDAC1TRPM8NPY1RHDAC6
SCHEMBL24938962 0.90 HDAC4 (0.40) HDAC4HDAC1TRPM8NPY1RHDAC6
SCHEMBL24939889 0.90 HDAC4 (0.38) HDAC4HDAC1TRPM8HDAC6
SCHEMBL24938941 0.90 MAPT (0.35) HDAC4HDAC1TRPM8GHSR
SCHEMBL24938871 0.90 NPY1R (0.39) HDAC4HDAC1TRPM8NPY1RHDAC6
SCHEMBL24153606 0.90 CCR5 (0.35) HDAC4HDAC1NPY1RHDAC6GHSR
SCHEMBL24153483 0.90 FAAH (0.34) HDAC4HDAC1TRPM8HDAC6
SCHEMBL24153605 0.89 PDGFRB (0.34) HDAC4HDAC1NPY1R

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-2021261969-A1 PREPARATION METHOD FOR NOVEL COMPOUND 홀로스메딕 주식회사 2021-12-30 — — WO disclosed
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