SCHEMBL8435256

SCHEMBL8435256

CCCN(CCC)CC1CCc2ccc(NC(=O)Nc3ccccc3)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MCHR1 Q99705 1/20 0.46
DGAT1 O75907 2/20 0.44
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
NOX1 Q9Y5S8 1/20 0.42
KCNA5 P22460 1/20 0.41
RORC P51449 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL8432109 0.90 NPC1 (0.47) MTNR1ANPC1RAB9AMEN1KMT2A
SCHEMBL8436871 0.89 MTNR1A (0.48) MTNR1ANPC1RAB9AMCHR1ADRA2A
SCHEMBL8432639 0.86 MTNR1A (0.62) MTNR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL8432801 0.85 MTNR1A (0.49) MTNR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL8436348 0.85 NPC1 (0.47) MTNR1ANPC1RAB9A
SCHEMBL8432634 0.84 MTNR1A (0.48) MTNR1AMCHR1ADRA2AADRA2BADRA2C
SCHEMBL8432866 0.83 EPHX1 (0.48) MTNR1AMAPT
SCHEMBL7254904 0.82 MCHR1 (0.66) NPC1RAB9AMEN1KMT2AMCHR1
Oxalic Acid SCHEMBL8432164 0.80 ADRA2A (0.43) MTNR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL8432405 0.80 MCHR1 (0.53) MTNR1ANPC1RAB9AMCHR1POLB

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