SCHEMBL7996576

SCHEMBL7996576

CC1(C)C(=O)N(CCCCN2CCN(c3nsc4ccccc34)CC2)CS1(=O)=O

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.59
DRD2 P14416 1/20 0.59
HTR2A P28223 1/20 0.59
HTR7 P34969 1/20 0.59
HTR6 P50406 1/20 0.59

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
SCHEMBL7996838 0.83
Hydrochloric Acid SCHEMBL7997168 0.82
SCHEMBL7993329 0.82 HTR1A (0.61) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7990246 0.80 HTR1A (0.57) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7979510 0.80 HTR1A (0.61) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11077375 0.78 HTR1A (0.69) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL10843227 0.78 HTR2A (0.67) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL7989887 0.78 HTR1A (0.59) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL7989890 0.78 HTR1A (0.59) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7991688 0.78 RAB9A (0.54) HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6284775-B1 PSYCHOLOGICAL DISORDERS AVENTIS PHARMACEUTICALS INC. 2001-09-04 US disclosed
US-5371087-A Antipsychotic, analgesics, anticonvulsant and anxiolytic agent HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-12-06 US disclosed
US-5229388-A 3-[4-(1-substituted-4-piperazinyl)butyl]-4-thiazolidinone and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-20 US disclosed