SCHEMBL8950552

SCHEMBL8950552

CC1(c2ccc(Cl)c(Cl)c2)SCC(C(C)(C)C)CS1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.37
SLC6A3 Q01959 8/20 0.37
SLC6A2 P23975 6/20 0.37
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRND Q07001 1/20 0.37
OPRM1 P35372 1/20 0.35
CCR2 P41597 2/20 0.35

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 0.84
SCHEMBL8950641 0.79 CHRNA1 (0.32) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL8950456 0.76 ALDH1A1 (0.32)
SCHEMBL9676485 0.74 SLC6A4 (0.34) SLC6A4SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL9679111 0.73 CCR2 (0.36) CCR2
SCHEMBL8950782 0.73 MAOA (0.41) SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL8950615 0.73 CCR2 (0.36) CCR2
SCHEMBL8950492 0.73 HTT (0.32)
SCHEMBL8950638 0.72 GABRP (0.38)
SCHEMBL8950353 0.72 GABRP (0.55)

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