SCHEMBL6967145

SCHEMBL6967145

CC(CC(=O)NCC1CN(Cc2ccccc2)c2ccccc2O1)c1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.56
MAPT P10636 2/20 0.45
SIRT1 Q96EB6 1/20 0.42
CASR P41180 5/20 0.41
ALDH1A1 P00352 1/20 0.41
SSTR2 P30874 1/20 0.39

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
SCHEMBL6973663 0.84 HTR1A (0.69) HTR1ASIRT1CASR
SCHEMBL6966558 0.82 HTR1A (0.70) HTR1AMAPT
SCHEMBL27577443 0.76 HTR1A (0.56) HTR1ASIRT1ALDH1A1
SCHEMBL6643767 0.75 HTR2A (0.52) MAPTALDH1A1
SCHEMBL6972839 0.71 HTR1A (1.00) HTR1AMAPT
SCHEMBL12695860 0.71 CASR (0.74) CASR
SCHEMBL6970358 0.69 HTR1A (0.72) HTR1ACASR
SCHEMBL1981854 0.68 TRPV1 (0.58) HTR1A
SCHEMBL12614170 0.68 CASR (0.72) CASR
Hydrochloric Acid SCHEMBL15410567 0.67 CASR (0.73) CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140925-B1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES WYETH CORP (US) 2003-04-23 EP disclosed
CN-1335845-A 3,4-dihydro-2H-benzo[1,4] oxazinyl-methyl [3-(1H-indol-3-yl)-alkyl]-amines AMERICAN HOME PROD (US) 2002-02-13 CN disclosed
US-6313114-B1 ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP 2001-11-06 US disclosed
EP-1140925-A1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
WO-2000040580-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINYL-METHYL[3-(1H-INDOL-3-YL)-ALKYL]-AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed