SCHEMBL7447586

SCHEMBL7447586

c1ccc(CNCCNc2cccc3[nH]ccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.60
DRD3 P35462 7/20 0.60
DRD2 P14416 6/20 0.60
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 1/20 0.42
MAOA P21397 1/20 0.41
CHRM2 P08172 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL12628453 0.80 HTR1D (0.45) DRD4DRD3DRD2MAPK1
SCHEMBL10668370 0.78 DRD2 (0.62) DRD4DRD3DRD2MEN1KMT2A
SCHEMBL6365304 0.77 CA12 (0.57) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL7434190 0.76 ALDH1A1 (0.56) DRD4DRD3DRD2MAPK1GAA
SCHEMBL7439974 0.76 LMNA (0.46) DRD4DRD3DRD2KMT2AMAPK1
SCHEMBL13717311 0.75 CA12 (0.54) DRD4DRD3DRD2MAPK1
SCHEMBL7206828 0.75 DRD2 (1.00) DRD4DRD3DRD2
SCHEMBL10838380 0.73 ADRB3 (0.50) DRD4DRD3MEN1KMT2AMAPK1
SCHEMBL4107305 0.72 KDM4E (0.66) MEN1KMT2AMAPK1GAAMAPT
SCHEMBL1801117 0.72 MAPK1 (0.51) DRD4DRD3MEN1KMT2AMAPK1

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
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