SCHEMBL7990544

SCHEMBL7990544

COc1ccccc1N1CCN(CCCCN2CSCC2=O)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.66
HTR1A P08908 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
DRD2 P14416 4/20 0.62
DRD3 P35462 4/20 0.62
DRD5 P21918 2/20 0.62
ALDH1A1 P00352 2/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
ALOX12 P18054 1/20 0.61
ADRA1D P25100 1/20 0.61
ADRA1A P35348 1/20 0.61
ADRA1B P35368 1/20 0.61
HIF1A Q16665 1/20 0.61
HSD17B10 Q99714 1/20 0.61
DRD4 P21917 1/20 0.61

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
SCHEMBL7993180 0.85 ADRA1B (0.65) HTR7HTR1AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7991413 0.84 ADRA1B (0.67) HTR7HTR1AADRA1DADRA1AADRA1B
SCHEMBL7990208 0.83 ADRA1A (0.65) DRD2DRD3ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7989966 0.82 ADRA1A (0.67) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL7978892 0.81 ADRA1B (0.54) MEN1KMT2ADRD2DRD3ALDH1A1
SCHEMBL7996612 0.80 HTR1A (0.60) HTR7HTR1AMEN1KMT2ACYP1A2
SCHEMBL7991570 0.80 HTR1A (0.60) HTR7HTR1AMEN1KMT2ACYP1A2
SCHEMBL6526368 0.80 DRD2 (0.85) HTR7HTR1AMEN1KMT2ACYP1A2
SCHEMBL6017582 0.80 HTR7 (1.00) HTR7HTR1AMEN1KMT2ACYP1A2
SCHEMBL11175537 0.80 HTR7 (0.73) HTR7HTR1AMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037984-A Anticonvulsants; anxiolytic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-06 US claimed
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
EP-0316723-B1 3-[4(1-Substituted-4-piperazinyl)butyl]-4-thiazolidinones a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-09-30 EP disclosed
US-5136037-A 3-(4-substituted-4-piperazinyl)butyl-4-thiazolidinone and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-08-04 US disclosed
US-5037984-A Anticonvulsants; anxiolytic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-06 US disclosed
US-4933453-A ANTIPSYCHOTIC, ANALGESIC, ANTICONVULSANT, AND ANXIOLYTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-12 US disclosed
EP-0316723-A1 3-[4(1-Substituted-4-piperazinyl)butyl]-4-thiazolidinones a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-05-24 EP disclosed