SCHEMBL31417543

SCHEMBL31417543

C[C@H]1[C@H](O)CN1c1cc(F)c(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c2ccoc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GYS1 P13807 4/20 0.33
▸ GRM5 P41594 2/20 0.33
▸ KCNA2 P16389 1/20 0.31
▸ KCNA5 P22460 1/20 0.31
▸ KCNA1 Q09470 1/20 0.31
▸ KCNA3 P22001 1/20 0.30
▸ S1PR5 Q9H228 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
SCHEMBL31417807 0.78 RORC (0.38) GYS1GRM5
SCHEMBL31417628 0.72 RIPK1 (0.34) GYS1
SCHEMBL26171964 0.71 GRM5 (0.36) GRM5S1PR5
SCHEMBL26172139 0.70 GRM5 (0.41) GRM5
SCHEMBL30586648 0.70 HTR1A (0.36) GRM5
SCHEMBL28899815 0.70 RXRA (0.42) GRM5S1PR5
SCHEMBL31417634 0.69 GRM5 (0.41) GYS1GRM5S1PR5
SCHEMBL30511792 0.69 MYC (0.38) GRM5
SCHEMBL24801556 0.68 S1PR5 (0.37) GRM5S1PR5
SCHEMBL26171399 0.68 S1PR5 (0.46) GRM5S1PR5

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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