SCHEMBL7443236

SCHEMBL7443236

O=C1Cc2c(NCCNCc3ccccc3)cccc2N1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.63
DRD4 P21917 4/20 0.63
DRD3 P35462 4/20 0.63
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.41
DHPS P49366 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PARP1 P09874 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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 SCHEMBL7443683 0.99 DRD2 (0.62) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL7448312 0.78 DRD2 (0.45) DRD2DRD4DRD3ALDH1A1DHPS
SCHEMBL7478147 0.78 DRD2 (1.00) DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL7443067 0.77 DRD2 (0.44) DRD2DRD4DRD3ALDH1A1DHPS
SCHEMBL837797 0.74 DHPS (0.51) DRD2DRD4DRD3DHPSKDM4E
SCHEMBL837816 0.73 DRD2 (0.45) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL1233895 0.71 DHPS (0.45) DRD2DRD4DRD3DHPSKDM4E
SCHEMBL21538147 0.69 DRD2 (0.69) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL8025799 0.69 DRD2 (0.52) DRD2DRD4DRD3KDM4E
SCHEMBL11700115 0.69 DRD2 (0.50) DRD2DRD4DRD3KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1297439-A 4-amino-(ethylamino)-oxindole dopamine autoreceptor agonists AMERICAN HOME PROD (US) 2001-05-30 CN claimed
EP-1073636-A1 4-AMINO-(ETHYLAMINO)-OXINDOLE DOPAMINE AUTORECEPTOR AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-07 EP claimed
WO-1999052870-A1 4-AMINO-(ETHYLAMINO)-OXINDOLE DOPAMINE AUTORECEPTOR AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-21 WO claimed
CN-1297439-A 4-amino-(ethylamino)-oxindole dopamine autoreceptor agonists AMERICAN HOME PROD (US) 2001-05-30 CN disclosed
US-6228880-B1 PARKINSON*S DISEASE, TOURETTE*S SYNDROME, SCHIZOPHRENIA, ALCOHOLISM, DRUG ABUSE; SIDE EFFECT REDUCTION AMERICAN HOME PRODUCTS CORP 2001-05-08 US disclosed
EP-1073636-A1 4-AMINO-(ETHYLAMINO)-OXINDOLE DOPAMINE AUTORECEPTOR AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-07 EP disclosed
WO-1999052870-A1 4-AMINO-(ETHYLAMINO)-OXINDOLE DOPAMINE AUTORECEPTOR AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-21 WO disclosed