SCHEMBL31417544

SCHEMBL31417544

O=C1CCC(c2c(F)cc(N3CC(NC(=O)Nc4cc(OC(F)(F)F)ccc4F)C3)c3c2CCO3)C(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 12/20 0.37
▸ KDR P35968 4/20 0.35
▸ BRAF P15056 1/20 0.34
▸ EPHX1 P07099 2/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ IKZF2 Q9UKS7 1/20 0.33

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
SCHEMBL31417784 0.89 PARP1 (0.33) TRPV1CRBN
SCHEMBL31417708 0.89 PARP1 (0.33) TRPV1CRBN
SCHEMBL31417746 0.89 PARP1 (0.33) TRPV1CRBN
SCHEMBL31417643 0.89 CRBN (0.33) TRPV1KDRBRAFCSNK1A1CRBN
SCHEMBL31417572 0.89 CRBN (0.33) TRPV1KDRBRAFCSNK1A1CRBN
SCHEMBL31417588 0.88 CRBN (0.37) TRPV1KDRBRAFCSNK1A1CRBN
SCHEMBL31417676 0.85 FPR1 (0.37) —
SCHEMBL31417641 0.82 USP30 (0.34) —
SCHEMBL31417769 0.82 CSNK1A1 (0.33) TRPV1KDRBRAFCSNK1A1CRBN
SCHEMBL31417615 0.80 CRBN (0.37) CRBN

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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