SCHEMBL8435308

SCHEMBL8435308

CC1CCc2ccc(NS(C)(=O)=O)cc21.CCCNCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.43
NAMPT P43490 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
BRD4 O60885 1/20 0.37
MTNR1A P48039 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL8436852 0.83 MTNR1A (0.38) ADRA2ADRD2HTR1AMTNR1A
SCHEMBL8697680 0.83 MTNR1A (0.36) ADRA2ADRD2HTR1AMTNR1ASLC6A2
SCHEMBL8433416 0.81 MTNR1A (0.58) ADRA2ANAMPTHTR1AMTNR1ASLC6A2
SCHEMBL8436872 0.79 MTNR1A (0.45) DRD2MTNR1AALDH1A1HPGDHTT
Oxalic Acid SCHEMBL8432169 0.78 MTNR1A (0.39) DRD2DRD1DRD5MTNR1A
SCHEMBL8432637 0.78 MTNR1A (0.44) DRD2HTR1AMTNR1A
SCHEMBL9627831 0.77 DRD2 (0.51) DRD2HTR1AMTNR1ASLC6A2SLC6A4
SCHEMBL8435260 0.77 ACHE (0.38) DRD2DRD1HTR1AMTNR1ASLC6A2
SCHEMBL8432113 0.76 NPC1 (0.49) MTNR1AHTTSMN1; SMN2NPC1RAB9A
SCHEMBL8436353 0.76 NPC1 (0.49) HTTSMN1; SMN2NPC1RAB9A

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