SCHEMBL6966877

SCHEMBL6966877

CC(C)N1CC(CO)Oc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.47
CASR P41180 2/20 0.38
HTR2B P41595 1/20 0.37
SIRT1 Q96EB6 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
THRB P10828 2/20 0.36
P2RX4 Q99571 1/20 0.36
TP53 P04637 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MAPT P10636 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36

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
SCHEMBL6967343 0.79 HTR1A (0.46) HTR1ACASRSIRT1SIRT2
SCHEMBL1689633 0.79 CASR (0.49) HTR1ACASRSIRT1SIRT2
SCHEMBL731248 0.79 CASR (0.49) HTR1ACASRSIRT1SIRT2
SCHEMBL6102026 0.79 CASR (0.49) HTR1ACASRSIRT1SIRT2
SCHEMBL6963955 0.76 HTR1A (0.43) HTR1ASIRT1SIRT2THRBTP53
SCHEMBL9151791 0.76 HTR1A (0.40) HTR1ASIRT1SIRT2
SCHEMBL16663594 0.75 HTR1A (0.31) HTR1A
SCHEMBL6971604 0.74 NISCH (0.51) HTR1ASIRT1SIRT2THRBTP53
SCHEMBL6977935 0.73 CASR (0.50) HTR1ACASRTP53MAOAMAOB
SCHEMBL6978931 0.73 HTR1A (0.40) HTR1ACASRHTR2BSIRT1SIRT2

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
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
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