SCHEMBL7993408

SCHEMBL7993408

CC1(C)C(=O)N(CCCCN2CCN(c3csc4cc(F)ccc34)CC2)CS1(=O)=O

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.65
DRD4 P21917 2/20 0.65
ADRA1A P35348 1/20 0.50
MAPT P10636 1/20 0.45
HTR1A P08908 3/20 0.42
DRD2 P14416 2/20 0.42
ADRA1B P35368 1/20 0.42
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL9297541 0.87 HTR2A (0.61) HTR2ADRD4ADRA1AMAPTHTR1A
SCHEMBL7993422 0.82 HTR2A (0.74) HTR2ADRD4ADRA1AMAPTHTR1A
SCHEMBL7679404 0.79 DRD4 (1.00) HTR2ADRD4ADRA1AMAPT
SCHEMBL7815509 0.77 HTR2A (0.61) HTR2ADRD4ADRA1AMAPTHTR1A
Maleic Acid SCHEMBL7993854 0.77 HTR2A (0.66) HTR2ADRD4ADRA1AMAPTHTR1A
Fumaric Acid SCHEMBL7993860 0.77 HTR2A (0.66) HTR2ADRD4ADRA1AMAPTHTR1A
SCHEMBL8651520 0.76 HTR2A (0.59) HTR2ADRD4ADRA1AMAPTHTR1A
SCHEMBL7817436 0.75 HTR2A (0.56) HTR2ADRD4ADRA1AMAPTHTR1A
SCHEMBL4442569 0.75 HTR1A (0.65) HTR2ADRD4ADRA1AHTR1ADRD2
SCHEMBL7996802 0.75 HTR2A (0.73) HTR2ADRD4ADRA1AMAPTHTR1A

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 4 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-5801186-A ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-09-01 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