SCHEMBL7993422

SCHEMBL7993422

CC1N(CCCCN2CCN(c3csc4cc(F)ccc34)CC2)C(=O)C(C)(C)S1(=O)=O

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.74
DRD4 P21917 2/20 0.74
ADRA1A P35348 1/20 0.49
MAPT P10636 2/20 0.45
DRD2 P14416 3/20 0.42
HTR1A P08908 2/20 0.42
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41

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
Fumaric Acid SCHEMBL7993860 0.93 HTR2A (0.66) HTR2ADRD4ADRA1AMAPTDRD2
Maleic Acid SCHEMBL7993854 0.93 HTR2A (0.66) HTR2ADRD4ADRA1AMAPTDRD2
SCHEMBL7679404 0.85 DRD4 (1.00) HTR2ADRD4ADRA1AMAPT
SCHEMBL7993408 0.82 HTR2A (0.65) HTR2ADRD4ADRA1AMAPTDRD2
SCHEMBL7996802 0.81 HTR2A (0.73) HTR2ADRD4ADRA1AMAPTDRD2
SCHEMBL8671953 0.80 HTR7 (0.51) HTR2ADRD4DRD2HTR1A
SCHEMBL7815509 0.77 HTR2A (0.61) HTR2ADRD4ADRA1AMAPTDRD2
Maleic Acid SCHEMBL9667377 0.76 HTR2A (0.65) HTR2ADRD4ADRA1AMAPTDRD2
Fumaric Acid SCHEMBL9667386 0.76 HTR2A (0.65) HTR2ADRD4ADRA1AMAPTDRD2
Maleic Acid SCHEMBL7979544 0.76 DRD4 (0.88) HTR2ADRD4ADRA1AMAPT

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