SCHEMBL9636591

SCHEMBL9636591

C#Cc1ccc([C@H]2SC[C@H](C3CC3)CS2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRP O00591 14/20 0.61
GABRD O14764 14/20 0.61
GABRA1 P14867 14/20 0.61
GABRB1 P18505 14/20 0.61
GABRG2 P18507 14/20 0.61
GABRB3 P28472 14/20 0.61
GABRA5 P31644 14/20 0.61
GABRA3 P34903 14/20 0.61
GABRA2 P47869 14/20 0.61
GABRB2 P47870 14/20 0.61
GABRA4 P48169 14/20 0.61
GABRE P78334 14/20 0.61
GABRA6 Q16445 14/20 0.61
GABRG1 Q8N1C3 14/20 0.61
GABRG3 Q99928 14/20 0.61
GABRQ Q9UN88 14/20 0.61
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33

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
SCHEMBL9637775 1.00 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9637571 0.93 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9637562 0.93 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9636612 0.77 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9636543 0.77 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950548 0.76 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10431279 0.74 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9636567 0.73 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9636585 0.73 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9637681 0.72 GABRP (0.57) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372816-B1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-07-29 EP claimed
WO-1990006304-A1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-14 WO claimed
EP-0372816-A1 Novel heterocyclic pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-13 EP claimed
EP-0372816-B1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-07-29 EP disclosed
WO-1990006304-A1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-14 WO disclosed
EP-0372816-A1 Novel heterocyclic pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-13 EP disclosed