SCHEMBL11046678

SCHEMBL11046678

O=c1[nH]c2ccccc2n1C=CCN1CCC(c2nsc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.47
▸ DRD4 P21917 2/20 0.47
▸ DRD3 P35462 2/20 0.47
▸ GRM2 Q14416 1/20 0.47
▸ HTR1A P08908 2/20 0.45
▸ HTR2A P28223 2/20 0.45
▸ HTR7 P34969 1/20 0.45
▸ HTR6 P50406 1/20 0.45
▸ OPRM1 P35372 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ OPRL1 P41146 1/20 0.36

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
SCHEMBL10940371 0.81 HTR1A (0.45) DRD2HTR1AHTR2A
SCHEMBL10986491 0.80 DRD2 (0.67) DRD2DRD4DRD3GRM2HTR1A
Hydrochloric Acid SCHEMBL7318328 0.75 DRD2 (0.53) DRD2DRD4DRD3GRM2HTR1A
SCHEMBL11046661 0.74 DRD2 (0.42) DRD2DRD4DRD3GRM2HTR1A
SCHEMBL10986480 0.74 DRD2 (0.45) DRD2DRD4DRD3GRM2HTR1A
SCHEMBL10373053 0.73 DRD2 (0.55) DRD2DRD4DRD3GRM2HTR1A
SCHEMBL10364952 0.69 DRD2 (0.57) DRD2DRD4DRD3GRM2HTR1A
SCHEMBL10991961 0.68 DRD2 (0.52) DRD2DRD4DRD3GRM2HTR1A
Bromide SCHEMBL10365633 0.68 DRD2 (0.56) DRD2DRD4DRD3GRM2HTR1A
SCHEMBL11045873 0.67 DRD2 (0.42) DRD2DRD4DRD3GRM2HTR1A

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-4558056-A PSYCHOLOGICAL DISORDERS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-12-10 — — US disclosed
US-4524074-A TREATMENT OF PSYCHOSES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-06-18 — — US disclosed
EP-0127167-A2 3-(4-Piperidinyl)-1,2-benzisothiazoles and derivatives, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1984-12-05 — — EP disclosed
US-4458076-A ANALGESICS, ANTIPSYCHOTICS HOECHST-ROUSSEL PHARMACEUTICALS (US) 1984-07-03 — — US disclosed
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