SCHEMBL9677755

SCHEMBL9677755

CC(C)(C)C1CCS[C@](C)(c2cccc(C(F)(F)F)c2)S1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.44
KDM1A O60341 2/20 0.43
CCR2 P41597 2/20 0.38
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 2/20 0.37
SLC6A2 P23975 1/20 0.37
OPRM1 P35372 4/20 0.36
OPRL1 P41146 4/20 0.36
OPRK1 P41145 3/20 0.36
OPRD1 P41143 2/20 0.36
BACE1 P56817 2/20 0.35
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34

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
SCHEMBL9677965 0.84 MAOA (0.37) KDM1ASLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL8950585 0.76 KDM1A (0.47) KCNN4KDM1ACCR2SLC6A4SLC6A3
SCHEMBL9676485 0.75 SLC6A4 (0.34) SLC6A4SLC6A3SLC6A2
SCHEMBL9677345 0.72 SLC6A2 (0.30) SLC6A4SLC6A3SLC6A2
SCHEMBL9678052 0.71
SCHEMBL9678092 0.70
SCHEMBL8950566 0.67 KDM1A (0.45) KCNN4KDM1ACCR2SLC6A4SLC6A3
SCHEMBL10193786 0.66 KDM1A (0.54) KCNN4KDM1ACCR2SLC6A4SLC6A3
SCHEMBL10468722 0.65 KDM1A (0.54) KCNN4KDM1ACCR2SLC6A4SLC6A3
SCHEMBL5698913 0.64 KDM1A (0.51) KCNN4KDM1ACCR2SLC6A4SLC6A3

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
EP-0294229-B1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-12-02 EP disclosed