SCHEMBL7990522

SCHEMBL7990522

CC1SC2(CCCC2)C(=O)N1CCCCN1CCN(c2ncc(F)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.61
HTR2A P28223 2/20 0.61
HTR1A P08908 3/20 0.56
SIGMAR1 Q99720 6/20 0.47

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
SCHEMBL7993160 0.86 DRD4 (0.59) DRD4HTR2AHTR1ASIGMAR1
SCHEMBL9672260 0.78 HTR1A (0.59) HTR1ASIGMAR1
SCHEMBL8302548 0.77 DRD4 (0.67) DRD4HTR2A
SCHEMBL8301640 0.76 DRD4 (0.66) DRD4HTR2A
SCHEMBL7990238 0.74 LMNA (0.58) HTR1A
SCHEMBL8306648 0.74 DRD4 (0.54) DRD4HTR2A
Hydrochloric Acid SCHEMBL7993287 0.73 LMNA (0.57) HTR1A
SCHEMBL9298364 0.72 HTR2A (0.67) DRD4HTR2A
SCHEMBL10911831 0.72 HTR1A (1.00) HTR2AHTR1ASIGMAR1
SCHEMBL7991554 0.71 HTR1A (0.60) HTR1ASIGMAR1

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-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
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