SCHEMBL6826664

SCHEMBL6826664

COc1ccc2c(c1)CCC(=O)C2=Cc1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.70
MAOB P27338 2/20 0.61
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
GAA P10253 1/20 0.57
HTT P42858 1/20 0.57
CYP27A1 Q02318 2/20 0.57
CYP24A1 Q07973 1/20 0.57
ABCB1 P08183 1/20 0.54
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
CYP26A1 O43174 3/20 0.53
CYP19A1 P11511 1/20 0.53

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
SCHEMBL5848374 0.85 MIF (0.73) MIFALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL8169114 0.82 MIF (1.00) MIFMAOBALDH1A1LMNAMAPT
SCHEMBL8169116 0.82 MIF (1.00) MIFMAOBALDH1A1LMNAMAPT
SCHEMBL1814539 0.78 MIF (0.48) MIFALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1814542 0.78 MIF (0.48) MIFALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL27904798 0.78 MAOB (0.60) MIFMAOBALDH1A1MAPTHTT
SCHEMBL17829213 0.78 MAOB (0.60) MIFMAOBALDH1A1MAPTHTT
SCHEMBL268592 0.77 KDM4E (0.56) MIFMAOBALDH1A1LMNAMAPT
SCHEMBL4167935 0.77 MIF (0.54) MIFMAOBMAPTABCB1CYP26A1
SCHEMBL4160984 0.76 MIF (0.53) MIFMAOBALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119543-B1 N-ARALKYLAMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR ORTHO MCNEIL PHARM INC (US) 2004-12-15 EP disclosed
EP-1076644-B1 N-SUBSTITUTED AMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO MCNEIL PHARM INC (US) 2004-06-23 EP disclosed
EP-1119543-A1 N-ARALKYLAMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR Ortho-McNeil Pharmaceutical, Inc. (US) 2001-08-01 EP disclosed
US-6201025-B1 FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-03-13 US disclosed
EP-1076644-A1 N-SUBSTITUTED AMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2001-02-21 EP disclosed
US-6140354-A FOR TREATMENT OF DISORDERS OR DISEASE STATES CAUSED BY EATING DISORDERS, OBESITY, BULIMIA NERVOSA, DIABETES, HYPERTENSION, MEMORY LOSS, EPILEPTIC SEIZURES, MIGRAINE, SLEEP DISTURBANCES, PAIN, SEXUAL/REPRODUCTIVE DISORDERS, DEPRESSION ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-10-31 US disclosed
WO-2000020376-A1 N-ARALKYLAMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-04-13 WO disclosed
WO-1999055667-A1 N-SUBSTITUTED AMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-11-04 WO disclosed