SCHEMBL11486355

SCHEMBL11486355

CC1Cc2ccccc2C(=C2CCN(C)CC2)c2ccsc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 9/20 0.62
▸ CHRM2 P08172 6/20 0.62
▸ CHRM1 P11229 6/20 0.62
▸ ADRA2A P08913 5/20 0.62
▸ DRD1 P21728 5/20 0.62
▸ DRD3 P35462 5/20 0.62
▸ ADRA1A P35348 5/20 0.62
▸ KCNH2 Q12809 5/20 0.62
▸ HTR2A P28223 5/20 0.62
▸ HTR2C P28335 5/20 0.62
▸ ADRA2B P18089 4/20 0.62
▸ LMNA P02545 4/20 0.62
▸ HTR2B P41595 4/20 0.62
▸ HTR1A P08908 4/20 0.62
▸ DRD2 P14416 4/20 0.62
▸ HTR3A P46098 3/20 0.62
▸ ADRA2C P18825 3/20 0.62
▸ ADRA1D P25100 3/20 0.62
▸ OPRK1 P41145 3/20 0.62
▸ SLC6A2 P23975 3/20 0.62

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
SCHEMBL12909408 0.86 HRH1 (0.72) HRH1CHRM2CHRM1ADRA2ADRD1
SCHEMBL11487549 0.84 HRH1 (0.58) HRH1CHRM2CHRM1ADRA2ADRD1
SCHEMBL20979097 0.84 HRH1 (0.58) HRH1CHRM2CHRM1ADRA2ADRD1
SCHEMBL11673865 0.77 DRD1 (0.62) HRH1CHRM2CHRM1ADRA2ADRD1
Pizotyline SCHEMBL8771138 0.77 DRD1 (1.00) HRH1CHRM2CHRM1ADRA2ADRD1
Pizotyline SCHEMBL44122 0.77 DRD1 (1.00) HRH1CHRM2CHRM1ADRA2ADRD1
Pizotyline SCHEMBL29366884 0.77 DRD1 (1.00) HRH1CHRM2CHRM1ADRA2ADRD1
SCHEMBL11674736 0.77 HRH1 (0.52) HRH1CHRM2CHRM1ADRA2ADRD1
Pizotyline SCHEMBL11436430 0.76 DRD1 (0.97) HRH1CHRM2CHRM1ADRA2ADRD1
SCHEMBL7817056 0.74 SETD7 (1.00) HRH1CHRM2CHRM1ADRA2ADRD1

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
US-4223035-A ANTIDEPRESSANT, ANTICHOLINERGIC, HORMONE INHIBITOR SANDOZ LTD. (CH) 1980-09-16 — — US claimed
US-4223035-A ANTIDEPRESSANT, ANTICHOLINERGIC, HORMONE INHIBITOR SANDOZ LTD. (CH) 1980-09-16 — — US disclosed
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