SCHEMBL9637368

SCHEMBL9637368

CCC(C)[C@H]1CS[C@H](c2ccc(C#C[Si](C)(C)C)cc2)SC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRP O00591 18/20 0.45
GABRD O14764 18/20 0.45
GABRA1 P14867 18/20 0.45
GABRB1 P18505 18/20 0.45
GABRG2 P18507 18/20 0.45
GABRB3 P28472 18/20 0.45
GABRA5 P31644 18/20 0.45
GABRA3 P34903 18/20 0.45
GABRA2 P47869 18/20 0.45
GABRB2 P47870 18/20 0.45
GABRA4 P48169 18/20 0.45
GABRE P78334 18/20 0.45
GABRA6 Q16445 18/20 0.45
GABRG1 Q8N1C3 18/20 0.45
GABRG3 Q99928 18/20 0.45
GABRQ Q9UN88 18/20 0.45

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
SCHEMBL9637373 1.00 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9636630 0.86 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9637521 0.86 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9637681 0.80 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9637675 0.80 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950665 0.76 GABRP (0.71) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9636413 0.72 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9636532 0.72 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1306384 0.66 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9636612 0.64 GABRP (0.64) 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 5 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