SCHEMBL6865807

SCHEMBL6865807

O=C1CCc2cc(F)ccc2C1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
MTNR1B P49286 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
TACR2 P21452 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SRD5A1 P18405 3/20 0.36
PARK7 Q99497 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
SCHEMBL1708540 0.83 SLC6A2 (0.47) HTR2AHTR2CTRPV1TSHRHTT
SCHEMBL6823777 0.82 HTR2A (0.45) HTR2AHTR2C
SCHEMBL6823296 0.82 HTR2A (0.50) HTR2AHTR2CTSHRHTT
SCHEMBL3284717 0.80 HTR2A (0.50) DRD2HTR2ASIGMAR1
SCHEMBL5263777 0.76 TSHR (0.50) TSHRHTT
SCHEMBL9827706 0.74 SRD5A1 (0.39) MTNR1BTRPV1SRD5A1
SCHEMBL15617162 0.74 TDP1 (0.41) HTR2AHTR2CHTR2BTSHRHTT
SCHEMBL16473206 0.73 GRIN2B (0.39) TSHRHTT
SCHEMBL12271714 0.72 HTR2A (0.48) DRD2HTR2ASIGMAR1
SCHEMBL7196338 0.72 ANPEP (0.52) HTR2AHTR2C

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-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