SCHEMBL8436992

SCHEMBL8436992

CC(=O)Nc1ccc2c(c1)C(CN(C)CCCN1CCN(c3ccccc3)C1=O)CC2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.48
DRD3 P35462 10/20 0.43
KCNH2 Q12809 9/20 0.43
DRD2 P14416 9/20 0.43
HTR7 P34969 1/20 0.40
HTR1A P08908 2/20 0.36
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
DPP4 P27487 1/20 0.35
HTR6 P50406 1/20 0.35
HDAC1 Q13547 1/20 0.35
CHRM2 P08172 1/20 0.35
SLC6A4 P31645 1/20 0.35
HCN4 Q9Y3Q4 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
SCHEMBL8432417 0.90 MTNR1A (0.46) MTNR1ADRD3KCNH2DRD2HTR1A
SCHEMBL8436332 0.87 MTNR1A (0.48) MTNR1ADRD3KCNH2DRD2HTR1A
SCHEMBL8433656 0.83 MTNR1A (0.46) MTNR1ADRD3KCNH2HTR1AMCHR1
SCHEMBL8435189 0.81 MTNR1A (0.45) MTNR1ADRD3KCNH2HTR1AMCHR1
SCHEMBL8435766 0.81 MTNR1A (0.45) MTNR1AKCNH2HTR1AMCHR1KDM4E
SCHEMBL8433692 0.80 MTNR1A (0.49) MTNR1AKCNH2HTR1AMCHR1KDM4E
SCHEMBL8432628 0.79 MTNR1A (0.48) MTNR1ADRD3KCNH2DRD2HTR1A
SCHEMBL8641270 0.79 MTNR1A (0.53) MTNR1ADRD3DRD2MCHR1KDM4E
SCHEMBL8436770 0.76 MTNR1A (0.51) MTNR1AKCNH2HTR1AMCHR1KDM4E
SCHEMBL8433848 0.73 MTNR1A (0.67) MTNR1AMCHR1KDM4EMAPT

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 2 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
EP-0673360-B1 AMINOMETHYLINDANS, -BENZOFURANES AND -BENZOTHIOPHENES LUNDBECK & CO AS H (DK) 1998-08-26 EP disclosed