SCHEMBL8436348

SCHEMBL8436348

CCCN(CCC)CC1CCc2ccc(NC(=O)NC3CCCC3)cc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
EPHX1 P07099 4/20 0.45
EPHX2 P34913 2/20 0.45
MTNR1A P48039 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL8436871 0.87 MTNR1A (0.48) NPC1RAB9AMTNR1A
SCHEMBL8435256 0.85 MTNR1A (0.47) NPC1RAB9AMTNR1A
SCHEMBL8432639 0.85 MTNR1A (0.62) MTNR1A
SCHEMBL8432109 0.84 NPC1 (0.47) NPC1RAB9ASMN1; SMN2EPHX2MTNR1A
SCHEMBL8432801 0.84 MTNR1A (0.49) MTNR1A
SCHEMBL8432634 0.83 MTNR1A (0.48) MTNR1A
SCHEMBL8432866 0.82 EPHX1 (0.48) EPHX1EPHX2MTNR1AHTT
SCHEMBL8432405 0.78 MCHR1 (0.53) NPC1RAB9ASMN1; SMN2MTNR1A
SCHEMBL8645028 0.77 ADRA2A (0.47) MTNR1A
SCHEMBL8436848 0.77 ADRA2A (0.44) 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