SCHEMBL8433667

SCHEMBL8433667

CC(=O)Nc1ccc2c(c1)C(CN(C)CCCCC1CCCCC1)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.56
NQO2 P16083 3/20 0.39
MTNR1B P49286 3/20 0.39
HTR1A P08908 1/20 0.39
KCNH2 Q12809 1/20 0.39
BCHE P06276 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
CYP2D6 P10635 1/20 0.38
RAB9A P51151 1/20 0.38
BAZ2B Q9UIF8 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL8644533 0.83 MTNR1A (0.46) MTNR1ANQO2MTNR1BHTR1AKCNH2
SCHEMBL8641270 0.82 MTNR1A (0.53) MTNR1AMTNR1BKDM4EMAPT
SCHEMBL8433848 0.80 MTNR1A (0.67) MTNR1ANQO2MTNR1BKDM4EMAPT
SCHEMBL8435766 0.80 MTNR1A (0.45) MTNR1AHTR1AKCNH2HPGDSMN1; SMN2
SCHEMBL8433656 0.79 MTNR1A (0.46) MTNR1AHTR1AKCNH2HPGDSMN1; SMN2
SCHEMBL8435189 0.78 MTNR1A (0.45) MTNR1ANQO2HTR1AKCNH2HPGD
SCHEMBL8432628 0.78 MTNR1A (0.48) MTNR1ANQO2MTNR1BHTR1AKCNH2
SCHEMBL8432639 0.76 MTNR1A (0.62) MTNR1ANQO2MTNR1B
SCHEMBL8437089 0.76 MAPT (0.52) MTNR1AHTR1ABCHECYP1A2CYP2C19
SCHEMBL8436770 0.74 MTNR1A (0.51) MTNR1ANQO2MTNR1BHTR1AKCNH2

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