SCHEMBL11028893

SCHEMBL11028893

Clc1ccc(C(CCC[Sn])c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.40
CNR1 P21554 1/20 0.40
CCR1 P32246 1/20 0.40
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
HIF1A Q16665 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CHRNA7 P36544 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
ADRB2 P07550 1/20 0.37

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
SCHEMBL7633113 0.80 CNR1 (0.41) SLC6A3CNR1CCR1HTR2AHRH1
SCHEMBL7333341 0.80 CNR1 (0.41) SLC6A3CNR1CCR1HTR2AHRH1
SCHEMBL11028921 0.78 SLC6A3 (0.40) SLC6A3CNR1CCR1HTR2AHRH1
Water SCHEMBL11025429 0.77 SLC6A3 (0.39) SLC6A3CNR1CCR1HTR2AHRH1
SCHEMBL3711770 0.77 SLC6A3 (0.51) SLC6A3CNR1ADRB2
SCHEMBL11021374 0.74 SLC6A3 (0.40) SLC6A3CNR1CCR1HTR2AHRH1
SCHEMBL11025423 0.74 CNR1 (0.41) SLC6A3CNR1CCR1HTR2AHRH1
SCHEMBL11278453 0.74 CNR1 (0.41) SLC6A3CNR1CCR1HTR2AHRH1
SCHEMBL11021379 0.74 SLC6A3 (0.38) SLC6A3CNR1CCR1HTR2AHRH1
SCHEMBL11278459 0.74 CNR1 (0.41) SLC6A3CNR1CCR1HTR2AHRH1

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-0049643-B1 IMPROVEMENTS IN OR RELATING TO BIS(SUBSTITUTED PHENYL) ALKYLTIN COMPOUNDS M & T Chemicals, Inc. (US) 1985-07-17 EP disclosed
EP-0049643-A2 Improvements in or relating to bis(substituted phenyl) alkyltin compounds M & T Chemicals, Inc. (US) 1982-04-14 EP disclosed