SCHEMBL31417764

SCHEMBL31417764

CN(C(=O)c1cc2c(c(COC(=O)Nc3cc(OC(F)(F)F)ccc3F)c1)OCC2)C1CCC(=O)NC1=O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.33
▸ CRBN Q96SW2 5/20 0.33
▸ DDB1 Q16531 3/20 0.33
▸ KDR P35968 3/20 0.33
▸ BRAF P15056 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.32
▸ IKZF2 Q9UKS7 1/20 0.32
▸ CHRM4 P08173 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GCGR P47871 2/20 0.31
▸ FFAR1 O14842 1/20 0.30
▸ FFAR4 Q5NUL3 1/20 0.30
▸ ENPP2 Q13822 1/20 0.30
▸ TEAD1 P28347 1/20 0.30
▸ TEAD4 Q15561 1/20 0.30
▸ TEAD2 Q15562 1/20 0.30
▸ TEAD3 Q99594 1/20 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
SCHEMBL31417719 1.00 TRPV1 (0.33) TRPV1CRBNDDB1KDRBRAF
SCHEMBL31417662 0.85 CRBN (0.41) TRPV1CRBNDDB1KDRCSNK1A1
SCHEMBL31417649 0.85 CRBN (0.41) TRPV1CRBNDDB1KDRCSNK1A1
SCHEMBL31417624 0.81 MRGPRX4 (0.36) TRPV1KDRBRAFCHRM4SMN1; SMN2
SCHEMBL31417766 0.81 DHODH (0.37) KDRBRAFCHRM4FFAR1FFAR4
SCHEMBL31417506 0.80 DDB1 (0.42) CRBNDDB1
SCHEMBL31417740 0.76 TRPV1 (0.37) TRPV1CRBNDDB1KDRBRAF
SCHEMBL31417524 0.71 HPGDS (0.40) TRPV1CRBNDDB1KDRBRAF
SCHEMBL20811954 0.70 GPR142 (0.44) CRBNDDB1
SCHEMBL31438897 0.69 CRBN (0.51) CRBNDDB1CSNK1A1IKZF2

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-2025016457-A1 NEW SUBSTITUTED HETEROCYCLIC COMPOUND AS GSPTS/MYC SIGNAL FLUX REGULATOR 杭州德睿智药科技有限公司 2025-01-23 — — WO disclosed
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