SCHEMBL6975593

SCHEMBL6975593

NCC1=Nc2ccccc2OC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 3/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
DRD4 P21917 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33

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
SCHEMBL9380549 0.79 MAPT (0.47) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL2537719 0.76 ALDH1A1 (0.45) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL7168282 0.75 MAPT (0.46) NPC1RAB9AKDM4EALDH1A1GAA
SCHEMBL5482045 0.74 LMNA (0.58) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL2931024 0.72 NPC1 (0.56) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL5833897 0.72 NOS3 (0.44) LMNANPC1RAB9AALDH1A1MAPT
SCHEMBL17634215 0.72 MAPT (0.41) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL2086906 0.69 LMNA (0.48) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL2524831 0.69 MAPT (1.00) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL341904 0.68 KDM4E (0.47) LMNANPC1RAB9AKDM4EALDH1A1

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 12 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
EP-0746556-B1 TRICYCLIC COMPOUNDS HAVING AFFINITY FOR THE 5-HT1A RECEPTOR ORTHO PHARMA CORP (US) 2002-09-25 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
EP-1070063-A1 INDOL-3-YL-CYCLOHEXYL AMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION (5-HT1 RECEPTOR ANTAGONISTS) AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-24 EP disclosed
US-6162803-A Indol-3-yl-cyclohexyl amine derivatives for the treatment of depression AMERICAN HOME PRODUCTS CORP. (US) 2000-12-19 US 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
WO-1999051592-A1 INDOL-3-YL-CYCLOHEXYL AMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION (5-HT1 RECEPTOR ANTAGONISTS) AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed
EP-0746556-A1 TRICYCLIC COMPOUNDS HAVING AFFINITY FOR THE 5-HT1A RECEPTOR ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-11 EP disclosed
US-5512566-A USEFUL IN TREATING DISEASES OF CENTRAL NERVOUS SYSTEM ORTHO PHARMACEUTICAL CORPORATION (US) 1996-04-30 US disclosed
WO-1995011903-A1 TRICYCLIC COMPOUNDS HAVING AFFINITY FOR THE 5-HT1A RECEPTOR ORTHO PHARMACEUTICAL CORPORATION (US) 1995-05-04 WO disclosed
US-4134974-A Imidazo[5,1-c][1,4]benzoxazin-1-one CARLO ERBA S. P. A. (IT) 1979-01-16 US disclosed