SCHEMBL11487549

SCHEMBL11487549

CCC1Cc2ccccc2C(=C2CCN(C)CC2)c2ccsc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 8/20 0.58
▸ DRD3 P35462 6/20 0.58
▸ CHRM2 P08172 5/20 0.58
▸ ADRA2A P08913 5/20 0.58
▸ CHRM1 P11229 5/20 0.58
▸ DRD1 P21728 5/20 0.58
▸ ADRA2B P18089 4/20 0.58
▸ HTR2A P28223 4/20 0.58
▸ HTR2C P28335 4/20 0.58
▸ LMNA P02545 4/20 0.58
▸ ADRA1A P35348 4/20 0.58
▸ KCNH2 Q12809 4/20 0.58
▸ DRD2 P14416 4/20 0.58
▸ HTR3A P46098 3/20 0.58
▸ ADRA2C P18825 3/20 0.58
▸ ADRA1D P25100 3/20 0.58
▸ HTR2B P41595 3/20 0.58
▸ HTR7 P34969 3/20 0.58
▸ HTR1A P08908 3/20 0.58
▸ SLC6A2 P23975 3/20 0.58

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
SCHEMBL11486355 0.84 HRH1 (0.62) HRH1DRD3CHRM2ADRA2ACHRM1
SCHEMBL12909408 0.83 HRH1 (0.72) HRH1DRD3CHRM2ADRA2ACHRM1
SCHEMBL20979097 0.81 HRH1 (0.58) HRH1DRD3CHRM2ADRA2ACHRM1
SCHEMBL11494009 0.76 METAP1 (0.42) HRH1HRH4MAPTKMT2AALDH1A1
Pizotyline SCHEMBL29366884 0.74 DRD1 (1.00) HRH1DRD3CHRM2ADRA2ACHRM1
Pizotyline SCHEMBL8771138 0.74 DRD1 (1.00) HRH1DRD3CHRM2ADRA2ACHRM1
Pizotyline SCHEMBL44122 0.74 DRD1 (1.00) HRH1DRD3CHRM2ADRA2ACHRM1
Pizotyline SCHEMBL11436430 0.73 DRD1 (0.97) HRH1DRD3CHRM2ADRA2ACHRM1
Ketotifen SCHEMBL4436 0.72 DRD3 (1.00) HRH1DRD3CHRM2ADRA2ACHRM1
Ketotifen SCHEMBL29356083 0.72 DRD3 (1.00) HRH1DRD3CHRM2ADRA2ACHRM1

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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