SCHEMBL9298366

SCHEMBL9298366

CC1SC2(CCCC2)C(=O)N1CCCCN1CCN(c2csc3cc(Cl)ccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.81
DRD4 P21917 2/20 0.81
MAPT P10636 1/20 0.43
HTR1A P08908 2/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD2 P14416 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
Hydrochloric Acid SCHEMBL7990183 0.99 HTR2A (0.80) HTR2ADRD4MAPTHTR1AADRA1A
SCHEMBL7997143 0.88 HTR2A (0.80) HTR2ADRD4MAPTHTR1ADRD2
Hydrochloric Acid SCHEMBL7996960 0.88 HTR2A (0.79) HTR2ADRD4MAPTHTR1ADRD2
Maleic Acid SCHEMBL7979544 0.84 DRD4 (0.88) HTR2ADRD4MAPTADRA1A
Fumaric Acid SCHEMBL7979548 0.84 DRD4 (0.88) HTR2ADRD4MAPTADRA1A
SCHEMBL7679404 0.78 DRD4 (1.00) HTR2ADRD4MAPTADRA1A
SCHEMBL7996802 0.74 HTR2A (0.73) HTR2ADRD4MAPTHTR1AADRA1A
Hydrochloric Acid SCHEMBL9666450 0.73 HTR2A (0.49) HTR2ADRD4MAPTHTR1ADRD2
SCHEMBL7990238 0.72 LMNA (0.58) HTR1AADRA1A
SCHEMBL7993315 0.72 DRD4 (0.56) HTR2ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4933453-A ANTIPSYCHOTIC, ANALGESIC, ANTICONVULSANT, AND ANXIOLYTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-12 US claimed
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
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