SCHEMBL7442891

SCHEMBL7442891

CN(CC(=O)Nc1cccc2[nH]ccc12)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 5/20 0.53
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DHPS P49366 1/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 1/20 0.46
BLM P54132 1/20 0.46
MAPK1 P28482 1/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL7434190 0.77 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAMAPTDHPS
SCHEMBL7439974 0.77 LMNA (0.46) KMT2ALMNAGAAMAPK1
SCHEMBL25120814 0.76 DHPS (0.57) MAPTDHPSHPGDMAPK1
SCHEMBL4865366 0.74 MAPK1 (0.56) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7849826 0.74 DHPS (0.57) DHPSMAPK1
SCHEMBL4107305 0.74 KDM4E (0.66) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL4025098 0.73 MAPK1 (0.63) DHPSMAPK1
SCHEMBL29901215 0.73 MAPK1 (0.63) DHPSMAPK1
SCHEMBL13046884 0.72 MAPK1 (0.61) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL257380 0.72 MAPK1 (0.71) ALDH1A1KDM4EDHPSGAAMAPK1

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 4 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 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