SCHEMBL8487697

SCHEMBL8487697

c1csc(CNCCOc2cccc3[nH]ncc23)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.67
DRD4 P21917 7/20 0.67
DRD3 P35462 7/20 0.67
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAOB P27338 1/20 0.38
KMT2A Q03164 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
IDO1 P14902 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
SCHEMBL8612003 0.81 DRD4 (1.00) DRD2DRD4DRD3KMT2A
SCHEMBL8485880 0.81 DRD2 (0.73) DRD2DRD4DRD3
SCHEMBL8124494 0.78 DRD2 (0.67) DRD2DRD4DRD3SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL8128014 0.76 DRD2 (0.64) DRD2DRD4DRD3SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL8128018 0.76 DRD2 (0.64) DRD2DRD4DRD3SMN1; SMN2CYP1A2
SCHEMBL7341397 0.74 DRD2 (0.67) DRD2DRD4DRD3SMN1; SMN2CYP1A2
SCHEMBL28266694 0.73 DRD2 (0.59) DRD2DRD4DRD3CYP1A2CYP3A4
SCHEMBL8487693 0.73 DRD2 (0.47) DRD2DRD4DRD3ALDH1A1IDO1
SCHEMBL8119329 0.73 SMN1; SMN2 (0.49) DRD2DRD4DRD3SMN1; SMN2ALDH1A1
SCHEMBL8134894 0.73 DRD2 (0.70) DRD2DRD4DRD3SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0960101-A1 4-AMINOETHOXYINDAZOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-01 EP claimed
US-5872144-A DOPAMINERGIC AGENTS USEFUL IN THE TREATMENT OF SCHIZOPHRENIA, TOURETTE'S SYNDROME, DRUG AND ALCOHOL ADDICTION, AND ALSO USEFUL IN THE TREATMENT OF PARKINSON'S DISEASE. AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-16 US claimed
WO-1998035943-A1 4-AMINOETHOXYINDAZOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO claimed
WO-1998035942-A1 4-AMINOETHOXYINDAZOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO claimed
EP-0960101-A1 4-AMINOETHOXYINDAZOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-01 EP disclosed
US-5872144-A DOPAMINERGIC AGENTS USEFUL IN THE TREATMENT OF SCHIZOPHRENIA, TOURETTE'S SYNDROME, DRUG AND ALCOHOL ADDICTION, AND ALSO USEFUL IN THE TREATMENT OF PARKINSON'S DISEASE. AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-16 US disclosed
WO-1998035942-A1 4-AMINOETHOXYINDAZOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO disclosed
WO-1998035943-A1 4-AMINOETHOXYINDAZOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO disclosed
WO-1998001430-A1 NITROALKYL-SUBSTITUTED PYRIMIDINYL OR TRIAZINYL (OXY, THIO, METHYL) PHENYL OR PYRIDINYL DERIVATIVES, THEIR PRODUCTION AND USE AS HERBICIDES OR PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1998-01-15 WO disclosed