SCHEMBL8349455

SCHEMBL8349455

COc1ccc2cccc(N3CC[N+](C(C)=O)([C@@H]4CCc5ccccc54)CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 5/20 0.53
MTNR1A P48039 4/20 0.43
HTR1A P08908 7/20 0.42
HTR1D P28221 5/20 0.42
HTR1B P28222 5/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR2C P28335 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
DRD1 P21728 1/20 0.39

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
SCHEMBL27529224 0.76 MTNR1B (0.61) MTNR1BHTR1AHTR1DHTR1BKDM4E
SCHEMBL8347285 0.76 MTNR1B (0.61) MTNR1BHTR1AHTR1DHTR1BKDM4E
SCHEMBL8349457 0.75 MTNR1B (0.52) MTNR1BMTNR1AHTR1AHTR1DHTR1B
SCHEMBL8344536 0.73 MTNR1B (0.62) MTNR1BMTNR1AHTR1AHTR1DHTR1B
SCHEMBL8344546 0.73 SIGMAR1 (0.53) MTNR1BHTR1AHTR1DHTR1BKDM4E
SCHEMBL8343954 0.70 SIGMAR1 (0.58) MTNR1BHTR1AHTR1DHTR1BKDM4E
SCHEMBL6000211 0.69 HTR1A (0.75) MTNR1BHTR1AHTR1DHTR1BKDM4E
SCHEMBL8349189 0.69 MTNR1B (0.46) MTNR1BHTR1AHTR1DHTR1BHTR2C
SCHEMBL8344543 0.69 MTNR1B (0.43) MTNR1BMTNR1AHTR1AHTR1DHTR1B
SCHEMBL8344544 0.68 MTNR1B (0.43) MTNR1BMTNR1AHTR1AHTR1DHTR1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929078-A ANTISEROTONINE AGENT SYNTHELABO (FR) 1999-07-27 US disclosed