SCHEMBL7354404

SCHEMBL7354404

CCSc1ccc(-c2cnccn2)c2c1C(=O)CC(C)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 12/20 1.00
GABRB3 P28472 12/20 1.00
GABRA5 P31644 12/20 1.00
GABRA3 P34903 11/20 1.00
GABRA2 P47869 11/20 1.00
GABRA1 P14867 10/20 1.00
P2RX7 Q99572 4/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
STAT1 P42224 1/20 0.32
RAB9A P51151 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
SCHEMBL7356856 0.85 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7349676 0.82 GABRG2 (0.70) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7349566 0.81 GABRG2 (0.69) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7349994 0.81 GABRG2 (0.67) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7358319 0.79 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7349707 0.78 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7353193 0.77 GABRG2 (0.70) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7356745 0.75 GABRG2 (0.67) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7349798 0.74 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7356851 0.74 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA3GABRA2

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
US-6156761-A Substituted tetralone derivatives for enhancing cognition MERCK SHARPE & DOHME LIMITED (GB) 2000-12-05 US disclosed