SCHEMBL8344544

SCHEMBL8344544

COc1ccc2cccc(N3CCNC(CCC4CCc5ccccc54)C3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.43
HTR1A P08908 4/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
SIGMAR1 Q99720 5/20 0.38
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
DRD1 P21728 3/20 0.38
SLC6A4 P31645 3/20 0.38
HTR2C P28335 3/20 0.36
MTNR1A P48039 1/20 0.36
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
SLC6A2 P23975 2/20 0.35
HRH2 P25021 2/20 0.35
ADRA1D P25100 2/20 0.35
HTR2A P28223 2/20 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
SCHEMBL8343951 0.94 MTNR1B (0.43) MTNR1BHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL8346145 0.87 HTR1A (0.43) HTR1AHTR1DHTR1BSIGMAR1HTR2A
SCHEMBL8344543 0.81 MTNR1B (0.43) MTNR1BHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL8344546 0.81 SIGMAR1 (0.53) MTNR1BHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL8346070 0.75 MTNR1B (0.41) MTNR1BHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL27529224 0.75 MTNR1B (0.61) MTNR1BHTR1AHTR1DHTR1B
SCHEMBL8347285 0.75 MTNR1B (0.61) MTNR1BHTR1AHTR1DHTR1B
SCHEMBL8343949 0.75 MTNR1B (0.44) MTNR1BHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL8343954 0.74 SIGMAR1 (0.58) MTNR1BHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL8349189 0.73 MTNR1B (0.46) MTNR1BHTR1AHTR1DHTR1BSIGMAR1

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