SCHEMBL8435306

SCHEMBL8435306

CCCN(CCC)CC1CCc2ccc(NS(C)(=O)=O)cc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
MTNR1A P48039 1/20 0.40
DRD3 P35462 2/20 0.38
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
DRD2 P14416 1/20 0.36
KCNH2 Q12809 1/20 0.36
BRD4 O60885 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
SCHEMBL8645028 0.84 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8436848 0.83 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8432639 0.82 MTNR1A (0.62) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8432801 0.81 MTNR1A (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8436871 0.80 MTNR1A (0.48) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8432634 0.80 MTNR1A (0.48) ADRA2AADRA2BADRA2CADRA1DADRA1A
Oxalic Acid SCHEMBL8432164 0.78 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8435256 0.78 MTNR1A (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8432109 0.78 NPC1 (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8436348 0.77 NPC1 (0.47) MTNR1A

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