SCHEMBL8436770

SCHEMBL8436770

CC(=O)Nc1ccc2c(c1)C(CN(C)CCN1CCNC1=O)CC2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.51
KMT2A Q03164 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1F P30939 1/20 0.38
NQO2 P16083 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
MCHR1 Q99705 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR2 Q969V1 1/20 0.35
MTNR1B P49286 3/20 0.35
CRBN Q96SW2 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
SCHEMBL8432628 0.94 MTNR1A (0.48) MTNR1AKMT2AHTR1AHTR1DHTR1B
SCHEMBL8433692 0.83 MTNR1A (0.49) MTNR1AHTR1AHTR1DHTR1BHTR1F
SCHEMBL8436332 0.80 MTNR1A (0.48) MTNR1AKMT2AHTR1AHTR1DHTR1B
SCHEMBL8433848 0.78 MTNR1A (0.67) MTNR1ANQO2MCHR1KDM4EMAPT
SCHEMBL8433656 0.76 MTNR1A (0.46) MTNR1AHTR1AMCHR1KDM4EMAPT
SCHEMBL8436992 0.76 MTNR1A (0.48) MTNR1AHTR1AMCHR1KDM4EMAPT
SCHEMBL8435189 0.76 MTNR1A (0.45) MTNR1AHTR1ANQO2MCHR1KDM4E
SCHEMBL8435766 0.76 MTNR1A (0.45) MTNR1AHTR1AMCHR1KDM4EMAPT
SCHEMBL8644533 0.75 MTNR1A (0.46) MTNR1AHTR1ANQO2KDM4EMAPT
SCHEMBL8432417 0.74 MTNR1A (0.46) MTNR1AKMT2AHTR1AMCHR1KCNH2

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 4 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
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