SCHEMBL6973663

SCHEMBL6973663

CC(CCNCC1CN(Cc2ccccc2)c2ccccc2O1)c1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.69
CASR P41180 5/20 0.46
SIRT1 Q96EB6 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 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
SCHEMBL6970358 0.85 HTR1A (0.72) HTR1ACASRHTR2AHTR2CHTR2B
SCHEMBL6967145 0.84 HTR1A (0.56) HTR1ACASRSIRT1
SCHEMBL6972839 0.81 HTR1A (1.00) HTR1A
SCHEMBL27577443 0.78 HTR1A (0.56) HTR1ASIRT1
SCHEMBL6975293 0.76 HTR1A (0.73) HTR1ACASR
SCHEMBL12695860 0.75 CASR (0.74) CASR
SCHEMBL6966558 0.72 HTR1A (0.70) HTR1A
SCHEMBL19559946 0.69 HTR2A (0.59) HTR1AHTR2AHTR2CHTR2B
SCHEMBL6974722 0.67 HTR1A (0.88) HTR1ACASR
Hydrochloric Acid SCHEMBL15410567 0.66 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 claimed
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
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