SCHEMBL31417676

SCHEMBL31417676

O=C1CCC(c2c(F)cc(N3CC(NC(=O)Nc4ccc(Cl)cc4F)C3)c3c2CCO3)C(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FPR1 P21462 17/20 0.37
▸ FPR2 P25090 17/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 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 0.95 PARP1 (0.33) FPR1FPR2KMT2ARAB9APOLB
SCHEMBL31417708 0.95 PARP1 (0.33) FPR1FPR2KMT2ARAB9APOLB
SCHEMBL31417746 0.95 PARP1 (0.33) FPR1FPR2KMT2ARAB9APOLB
SCHEMBL31417641 0.89 USP30 (0.34) FPR1FPR2RAB9ANPC1POLB
SCHEMBL31417644 0.87 KMT2A (0.36) FPR1FPR2KMT2ANPC1
SCHEMBL31417631 0.87 DDB1 (0.39) FPR1FPR2KMT2ARAB9ANPC1
SCHEMBL31417544 0.85 TRPV1 (0.37) —
SCHEMBL31417772 0.83 FPR1 (0.36) FPR1FPR2KMT2ARAB9ANPC1
SCHEMBL31417565 0.82 CHRM2 (0.31) —
SCHEMBL31417806 0.82 CHRM2 (0.31) —

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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