SCHEMBL31434705

SCHEMBL31434705

CCOC(=O)c1coc(Cc2ccc(-c3ccccc3C)cn2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 5/20 0.41
GABRB2 P47870 5/20 0.41
GABRP O00591 3/20 0.41
GABRD O14764 3/20 0.41
GABRA1 P14867 3/20 0.41
GABRB1 P18505 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA4 P48169 3/20 0.41
GABRE P78334 3/20 0.41
GABRA6 Q16445 3/20 0.41
GABRG1 Q8N1C3 3/20 0.41
GABRG3 Q99928 3/20 0.41
GABRQ Q9UN88 3/20 0.41
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 4/20 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
SCHEMBL31434701 0.87 NR1H4 (0.39) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL31434641 0.87 GABRA2 (0.40) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL31434600 0.86 CYP1A2 (0.40) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL31434754 0.84 GABRA2 (0.45) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL31434586 0.83 CYP1A2 (0.36) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL31434635 0.82 CYP1A2 (0.36) CYP1A2MAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL31434616 0.82 CDC7 (0.36) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL31434740 0.82 CYP1A2 (0.36) GABRA2GABRA1GABRG2GABRB3GABRA5
SCHEMBL31434593 0.81 SYK (0.36) CYP1A2L3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL31434804 0.79 CYP1A2 (0.39) GABRA2GABRB2GABRPGABRDGABRA1

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