SCHEMBL31434641

SCHEMBL31434641

CCOC(=O)c1coc(Cc2ccc(-c3ccc(F)cc3C)cn2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
ABL1 P00519 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 4/20 0.37
GAA P10253 2/20 0.37
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
NLRP3 Q96P20 1/20 0.36
GRM5 P41594 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36

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
SCHEMBL31434754 0.90 GABRA2 (0.45) GABRA2GABRB2TSHRALDH1A1GAA
SCHEMBL31434624 0.88 ABL1 (0.39) ABL1GRM5GRIN1GRIN2BCTSA
SCHEMBL31434705 0.87 GABRA2 (0.41) GABRA2GABRB2ALDH1A1GAAGABRG2
SCHEMBL31434600 0.81 CYP1A2 (0.40) GABRA2GABRB2ALDH1A1GAAGABRG2
SCHEMBL31434586 0.81 CYP1A2 (0.36) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL31434740 0.80 CYP1A2 (0.36) GABRA2GABRG2GABRB3GABRA5NLRP3
SCHEMBL31434616 0.80 CDC7 (0.36) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL31434635 0.80 CYP1A2 (0.36) ALDH1A1GAAKDM4ENLRP3NPC1
SCHEMBL31434593 0.79 SYK (0.36) ALDH1A1GAANLRP3NPC1RAB9A
SCHEMBL31434723 0.78 GABRA2 (0.44) GABRA2GABRB2ALDH1A1KDM4EHPGD

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-2025085347-A1 IL4I1 INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-04-24 WO disclosed