SCHEMBL31417593

SCHEMBL31417593

O=C(CC1CN(c2cc(F)c(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)c3c2OCC3)C1)Nc1ccc(Cl)cc1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.36
▸ TP53 P04637 1/20 0.34
▸ GRM5 P41594 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ DGAT1 O75907 2/20 0.33
▸ PTGER1 P34995 1/20 0.33
▸ CNR1 P21554 5/20 0.32
▸ PSMD14 O00487 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ FPR1 P21462 1/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GYS1 P13807 1/20 0.32

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
SCHEMBL31417634 0.82 GRM5 (0.41) GRM5SMN1; SMN2GYS1
SCHEMBL31417767 0.78 RORC (0.38) GRM5L3MBTL1KMT2AGYS1
SCHEMBL31417628 0.74 RIPK1 (0.34) GYS1
SCHEMBL31417704 0.73 GRM5 (0.46) GRM5SMN1; SMN2GYS1
SCHEMBL31417750 0.72 GRM5 (0.46) GRM5SMN1; SMN2GYS1
SCHEMBL24801556 0.66 S1PR5 (0.37) GRM5
SCHEMBL26171399 0.66 S1PR5 (0.46) GRM5
SCHEMBL25198407 0.66 CNR1 (0.43) GRM5CNR1L3MBTL1
SCHEMBL24802144 0.66 FFAR4 (0.41) —
SCHEMBL31342671 0.65 CNR1 (0.37) CNR1

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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