SCHEMBL8434689

SCHEMBL8434689

CC1CSc2ccc(NC=O)cc21.CCCNCCC

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.34
OPRD1 P41143 3/20 0.31
DRD2 P14416 4/20 0.30
DRD3 P35462 4/20 0.30
DRD4 P21917 3/20 0.30

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
SCHEMBL8433919 0.79 HTR2B (0.34) HTR2BDRD2DRD3DRD4
SCHEMBL8436852 0.75 MTNR1A (0.38) OPRD1DRD2DRD3DRD4
SCHEMBL8434686 0.74 ADRA2A (0.33)
Oxalic Acid SCHEMBL8432169 0.71 MTNR1A (0.39) OPRD1DRD2DRD3DRD4
SCHEMBL10196253 0.63 HTR2A (0.41) HTR2BOPRD1DRD2DRD3DRD4
SCHEMBL8435308 0.61 ADRA2A (0.43) DRD2
Dimethylamine SCHEMBL8433452 0.61 OPRD1 (0.38) HTR2BOPRD1
SCHEMBL10551933 0.59 HDAC3 (0.41)
SCHEMBL7344800 0.59 ALDH1A1 (0.41) OPRD1
SCHEMBL8697680 0.59 MTNR1A (0.36) OPRD1DRD2DRD3DRD4

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
US-5972964-A FOR TREATMENT OF CERTAIN PSYCHIC AND NEUROLOGIC DISORDERS SUCH AS PSYCHOSIS, ANXIETY DISORDERS, PANIC DISORDER, OBSESSIVE COMPULSIVE DISORDER, DEPRESSION, IMPULSE CONTROL DISORDERS, ALCOHOL ABUSE, AGGRESSION H. LUNDBECK A/S (DK) 1999-10-26 US disclosed
US-5807889-A PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS H. LUNDBECK A/S (DK) 1998-09-15 US disclosed
EP-0673360-B1 AMINOMETHYLINDANS, -BENZOFURANES AND -BENZOTHIOPHENES LUNDBECK & CO AS H (DK) 1998-08-26 EP disclosed
EP-0673360-A1 AMINOMETHYLINDANS, -BENZOFURANES AND -BENZOTHIOPHENES H. LUNDBECK A/S (DK) 1995-09-27 EP disclosed
WO-1994013620-A1 AMINOMETHYLINDANS, -BENZOFURANES AND -BENZOTHIOPHENES H. LUNDBECK A/S (DK) 1994-06-23 WO disclosed