SCHEMBL8950353

SCHEMBL8950353

C#Cc1ccc(C2(C)SCC(C(C)(C)C)CS2)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRP O00591 13/20 0.55
GABRD O14764 13/20 0.55
GABRA1 P14867 13/20 0.55
GABRB1 P18505 13/20 0.55
GABRG2 P18507 13/20 0.55
GABRB3 P28472 13/20 0.55
GABRA5 P31644 13/20 0.55
GABRA3 P34903 13/20 0.55
GABRA2 P47869 13/20 0.55
GABRB2 P47870 13/20 0.55
GABRA4 P48169 13/20 0.55
GABRE P78334 13/20 0.55
GABRA6 Q16445 13/20 0.55
GABRG1 Q8N1C3 13/20 0.55
GABRG3 Q99928 13/20 0.55
GABRQ Q9UN88 13/20 0.55

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
SCHEMBL8950638 0.84 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9678753 0.81 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950456 0.79 ALDH1A1 (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9636528 0.78 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9636581 0.78 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950782 0.76 MAOA (0.41)
SCHEMBL9676511 0.74 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950552 0.72 SLC6A4 (0.37)
SCHEMBL8950548 0.71 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10654833 0.69 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2

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
US-5502073-A INSECTICIDES OR ANTHELMINTICS THE WELLCOME FOUNDATION (GB) 1996-03-26 US disclosed
EP-0294229-A2 Novel heterocyclic pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-12-07 EP disclosed