SCHEMBL8435189

SCHEMBL8435189

CC(=O)Nc1ccc2c(c1)C(CN(C)CCCCCCN1CCN(C3CCCC3)C1=O)CC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR1A P08908 3/20 0.35
KCNH2 Q12809 2/20 0.35
MCHR1 Q99705 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
RORC P51449 1/20 0.33
POLB P06746 1/20 0.33
CHRM2 P08172 1/20 0.33
SLC6A4 P31645 1/20 0.33
DRD3 P35462 1/20 0.33
HCN4 Q9Y3Q4 1/20 0.33
NQO2 P16083 1/20 0.33

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
SCHEMBL8435766 0.98 MTNR1A (0.45) MTNR1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8433656 0.96 MTNR1A (0.46) MTNR1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8432417 0.82 MTNR1A (0.46) MTNR1AHTR1AKCNH2MCHR1DRD3
SCHEMBL8432628 0.82 MTNR1A (0.48) MTNR1AKDM4EHTR1AKCNH2MCHR1
SCHEMBL8436992 0.81 MTNR1A (0.48) MTNR1AKDM4EHTR1AKCNH2MCHR1
SCHEMBL8433692 0.79 MTNR1A (0.49) MTNR1AKDM4EHTR1AKCNH2MCHR1
SCHEMBL8433667 0.78 MTNR1A (0.56) MTNR1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8644533 0.76 MTNR1A (0.46) MTNR1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8436332 0.76 MTNR1A (0.48) MTNR1AHTR1AKCNH2MCHR1DRD3
SCHEMBL8436770 0.76 MTNR1A (0.51) MTNR1AKDM4EHTR1AKCNH2MCHR1

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