SCHEMBL9637675

SCHEMBL9637675

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRP O00591 16/20 0.57
GABRD O14764 16/20 0.57
GABRA1 P14867 16/20 0.57
GABRB1 P18505 16/20 0.57
GABRG2 P18507 16/20 0.57
GABRB3 P28472 16/20 0.57
GABRA5 P31644 16/20 0.57
GABRA3 P34903 16/20 0.57
GABRA2 P47869 16/20 0.57
GABRB2 P47870 16/20 0.57
GABRA4 P48169 16/20 0.57
GABRE P78334 16/20 0.57
GABRA6 Q16445 16/20 0.57
GABRG1 Q8N1C3 16/20 0.57
GABRG3 Q99928 16/20 0.57
GABRQ Q9UN88 16/20 0.57

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
SCHEMBL9637681 1.00 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9636543 0.84 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9636612 0.84 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9637373 0.80 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9637368 0.80 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9637616 0.78 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9637860 0.78 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9637621 0.78 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950493 0.75 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950548 0.73 GABRP (1.00) 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 4 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
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
EP-0372816-A1 Novel heterocyclic pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-13 EP disclosed