SCHEMBL10986491

SCHEMBL10986491

O=c1[nH]c2ccccc2n1CCCN1CCC(c2nsc3ccccc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.67
▸ HTR2A P28223 3/20 0.67
▸ HTR7 P34969 3/20 0.67
▸ HTR1A P08908 2/20 0.67
▸ HTR6 P50406 1/20 0.67
▸ LMNA P02545 3/20 0.56
▸ P2RX7 Q99572 3/20 0.55
▸ DRD3 P35462 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ NR1I2 O75469 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ ADORA3 P0DMS8 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ ADRA2C P18825 2/20 0.53
▸ SLC6A2 P23975 2/20 0.53
▸ HTR2C P28335 2/20 0.53
▸ SLC6A4 P31645 2/20 0.53
▸ ADRA1A P35348 2/20 0.53
▸ HRH1 P35367 2/20 0.53

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 SCHEMBL7318328 0.83 DRD2 (0.53) DRD2HTR2AHTR7HTR1AHTR6
SCHEMBL10895899 0.80 P2RX7 (0.57) DRD2HTR2AHTR7HTR1ALMNA
SCHEMBL11046678 0.80 DRD2 (0.47) DRD2HTR2AHTR7HTR1AHTR6
SCHEMBL11038162 0.77 ADRA1D (0.68) LMNASLC6A4ADRA1D
SCHEMBL3036994 0.77 LMNA (0.70) DRD2HTR2AHTR7HTR1ALMNA
SCHEMBL11073263 0.77 DRD2 (0.50) DRD2HTR2AHTR1ALMNADRD3
SCHEMBL11038195 0.76 LMNA (0.60) DRD2HTR2AHTR7HTR1ALMNA
SCHEMBL11040157 0.76 LMNA (0.60) DRD2HTR2AHTR7HTR1ALMNA
Hydrochloric Acid SCHEMBL11037928 0.76 ADRA1D (0.69) LMNASLC6A4ADRA1D
SCHEMBL9377459 0.76 DRD2 (0.55) DRD2HTR2AHTR7HTR1AHTR6

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
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
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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