SCHEMBL7830263

SCHEMBL7830263

c1ccc(CC2NCCc3ccc4sccc4c32)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.51
PRCP P42785 1/20 0.51
ADRB2 P07550 1/20 0.46
GRIN2B Q13224 1/20 0.45
HTR2A P28223 4/20 0.40
HTR2C P28335 1/20 0.40
KDM1A O60341 1/20 0.40
CHRM4 P08173 1/20 0.37
HTR7 P34969 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
SCHEMBL4709300 0.75 SLC22A1 (0.59) SLC22A1PRCPADRB2GRIN2BHTR2A
SCHEMBL5691995 0.72 PRCP (0.63) SLC22A1PRCPADRB2GRIN2BHTR2A
SCHEMBL27959648 0.68 SLC22A1 (0.57) SLC22A1PRCPADRB2GRIN2BHTR2A
SCHEMBL5812041 0.68 PRCP (1.00) SLC22A1PRCPADRB2KDM1A
SCHEMBL29768314 0.68 PRCP (1.00) SLC22A1PRCPADRB2KDM1A
SCHEMBL4160731 0.68 PRCP (1.00) SLC22A1PRCPADRB2KDM1A
SCHEMBL5284097 0.68 PRCP (1.00) SLC22A1PRCPADRB2KDM1A
Water SCHEMBL28203568 0.67 PRCP (0.97) SLC22A1PRCPADRB2KDM1A
Hydrochloric Acid SCHEMBL8823234 0.67 PRCP (0.97) SLC22A1PRCPADRB2KDM1A
SCHEMBL10349434 0.65 ADRB2 (0.72) SLC22A1PRCPADRB2HTR2AHTR2C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888332-B1 N-Azacycloalkyl Alkyl Dibenzothiophene Carboxamides: Dopamine Receptor Subtype Specific Ligands NEUROGEN CORP (US) 2001-05-30 EP disclosed