SCHEMBL6863397

SCHEMBL6863397

CC(C)(C)OC(=O)NCC1(OC=O)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.40
EPHX1 P07099 1/20 0.40
DRD2 P14416 5/20 0.38
TDP1 Q9NUW8 1/20 0.36
P2RX7 Q99572 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
APLNR P35414 1/20 0.34
KDM4A O75164 1/20 0.34
NPFFR1 Q9GZQ6 1/20 0.33
NPFFR2 Q9Y5X5 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 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
SCHEMBL571375 0.92 HCRTR2 (0.40) HCRTR2EPHX1DRD2TDP1MAOA
SCHEMBL6630535 0.84 TDP1 (0.42) HCRTR2EPHX1DRD2TDP1MAOA
SCHEMBL90580 0.84 HCRTR2 (0.41) HCRTR2EPHX1DRD2TDP1P2RX7
SCHEMBL27554172 0.81 HCRTR2 (0.41) HCRTR2EPHX1DRD2TDP1P2RX7
SCHEMBL5962444 0.79 EPHX1 (0.41) HCRTR2EPHX1DRD2TDP1P2RX7
SCHEMBL28815172 0.77 HCRTR2 (0.39) HCRTR2EPHX1DRD2TDP1P2RX7
SCHEMBL28055196 0.77 HCRTR2 (0.40) HCRTR2EPHX1DRD2TDP1P2RX7
SCHEMBL14104233 0.77 EPHX1 (0.43) HCRTR2EPHX1DRD2TDP1P2RX7
SCHEMBL25785532 0.76 HCRTR2 (0.45) HCRTR2EPHX1DRD2TDP1P2RX7
SCHEMBL89465 0.76 EPHX1 (0.44) HCRTR2EPHX1DRD2TDP1P2RX7

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-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-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-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
US-5387671-A Antiinflammatory agents ABBOTT LABORATORIES (US) 1995-02-07 US disclosed