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SCHEMBL10201503

SCHEMBL10201503

CC(C)(C)OC(=O)N1C2C[C@]2(C)C[C@H]1c1nc2cc(C#Cc3ccc4c(ccc5nc([C@@H]6C[C@@]7(C)CC7N6C(=O)OC(C)(C)C)[nH]c54)c3)ccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.35
▸ GABRG2 P18507 3/20 0.35
▸ GABRB3 P28472 3/20 0.35
▸ GABRA3 P34903 3/20 0.35
▸ GABRA2 P47869 3/20 0.35
▸ GABRA5 P31644 1/20 0.30
▸ GABRA4 P48169 1/20 0.30
▸ GABRA6 Q16445 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
SCHEMBL12405025 0.90 KRAS (0.33) —
SCHEMBL10201154 0.89 GABRG2 (0.34) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10201756 0.84 ALDH1A1 (0.33) —
SCHEMBL10201490 0.81 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL19488269 0.80 GABRG2 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10201767 0.80 GABRG2 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL19458450 0.79 CYP3A4 (0.33) —
SCHEMBL19458451 0.79 CYP3A4 (0.33) —
SCHEMBL12373673 0.79 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10202464 0.79 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA3GABRA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 — — EP disclosed
WO-2012018325-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 — — WO disclosed