SCHEMBL31417730

SCHEMBL31417730

O=C(Nc1cc(OC(F)(F)F)ccc1F)OCc1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c2c1OCC2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.38
▸ PTGDR2 Q9Y5Y4 3/20 0.36
▸ TRPV1 Q8NER1 3/20 0.34
▸ RIPK1 Q13546 4/20 0.33
▸ RIPK3 Q9Y572 2/20 0.33
▸ GYS1 P13807 1/20 0.33
▸ KDR P35968 2/20 0.33
▸ PTGES O14684 1/20 0.32
▸ TEAD1 P28347 1/20 0.32
▸ TEAD4 Q15561 1/20 0.32
▸ TEAD2 Q15562 1/20 0.32
▸ TEAD3 Q99594 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ BRAF P15056 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
SCHEMBL31417786 0.84 TRPV1 (0.33) GRM5TRPV1RIPK1RIPK3GYS1
SCHEMBL31417754 0.74 GRM5 (0.49) GRM5NPC1RAB9A
SCHEMBL31417766 0.70 DHODH (0.37) KDRBRAF
SCHEMBL31417740 0.70 TRPV1 (0.37) TRPV1RIPK1RIPK3KDRBRAF
SCHEMBL31417612 0.69 GRM5 (0.51) GRM5NPC1RAB9A
SCHEMBL31417624 0.68 MRGPRX4 (0.36) TRPV1KDRTEAD1TEAD4TEAD2
SCHEMBL31417750 0.67 GRM5 (0.46) GRM5GYS1NPC1RAB9A
SCHEMBL31417704 0.67 GRM5 (0.46) GRM5GYS1NPC1RAB9A
SCHEMBL25254252 0.63 PTGER1 (0.62) —
SCHEMBL30158160 0.63 PTGER1 (0.62) —

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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