SCHEMBL10364952

SCHEMBL10364952

c1ccc2c(C3CCN(CC4CC4)CC3)nsc2c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.57
DRD3 P35462 5/20 0.57
DRD4 P21917 1/20 0.57
GRM2 Q14416 1/20 0.57
HTR1A P08908 5/20 0.51
HTR2A P28223 5/20 0.51
ACHE P22303 2/20 0.45
OPRL1 P41146 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
CYP2D6 P10635 1/20 0.39
HTR4 Q13639 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
Bromide SCHEMBL10365633 0.99 DRD2 (0.56) DRD2DRD3DRD4GRM2HTR1A
SCHEMBL10985997 0.81 DRD2 (0.55) DRD2DRD3DRD4GRM2HTR1A
SCHEMBL10373053 0.81 DRD2 (0.55) DRD2DRD3DRD4GRM2HTR1A
SCHEMBL10366616 0.80 DRD2 (0.56) DRD2DRD3DRD4GRM2HTR1A
SCHEMBL10991961 0.80 DRD2 (0.52) DRD2DRD3DRD4GRM2HTR1A
SCHEMBL1840347 0.80 DRD2 (0.58) DRD2DRD3DRD4GRM2HTR1A
SCHEMBL9377459 0.79 DRD2 (0.55) DRD2DRD3DRD4GRM2HTR1A
Bromide SCHEMBL10991850 0.79 DRD2 (0.55) DRD2DRD3DRD4GRM2HTR1A
Hydrochloric Acid SCHEMBL1836699 0.78 DRD2 (0.57) DRD2DRD3DRD4GRM2HTR1A
Bromide SCHEMBL10365464 0.78 DRD2 (0.57) DRD2DRD3DRD4GRM2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0127167-B1 3-(4-PIPERIDINYL)-1,2-BENZISOTHIAZOLES AND DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1990-04-04 EP claimed
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 claimed
US-4458076-A ANALGESICS, ANTIPSYCHOTICS HOECHST-ROUSSEL PHARMACEUTICALS (US) 1984-07-03 US claimed