SCHEMBL8950641

SCHEMBL8950641

CC(C)(C)[C@H]1CS[C@](C)(c2cc(Cl)cc(Cl)c2)SC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRND Q07001 1/20 0.32
TSHR P16473 1/20 0.32
CCR2 P41597 1/20 0.31

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
SCHEMBL8950567 0.85
SCHEMBL8950552 0.79 SLC6A4 (0.37) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL9679111 0.77 CCR2 (0.36) CCR2
SCHEMBL8950615 0.77 CCR2 (0.36) CCR2
SCHEMBL8950456 0.72 ALDH1A1 (0.32) TSHR
SCHEMBL8950638 0.72 GABRP (0.38)
SCHEMBL9677345 0.71 SLC6A2 (0.30) SLC6A2SLC6A3
SCHEMBL8950782 0.70 MAOA (0.41) SLC6A2SLC6A3
SCHEMBL8950353 0.69 GABRP (0.55)
SCHEMBL8950572 0.68 GABRP (0.50)

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
EP-0294229-B1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-12-02 EP claimed
US-5502073-A INSECTICIDES OR ANTHELMINTICS THE WELLCOME FOUNDATION (GB) 1996-03-26 US disclosed