SCHEMBL7735707

SCHEMBL7735707

NCCC1CCc2cccc3[nH]cc1c23

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
DRD1 P21728 2/20 0.46
DRD5 P21918 2/20 0.46
HTR2A P28223 2/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
HTR2C P28335 2/20 0.36
HTR6 P50406 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
BCHE P06276 1/20 0.36
HTR2B P41595 1/20 0.35
SLC6A4 P31645 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 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
SCHEMBL7735728 0.77 MTNR1A (0.54) MTNR1AMTNR1B
SCHEMBL7741773 0.75 MTNR1A (0.65) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL7379841 0.73 HTR6 (0.56) HTR2AMTNR1AMTNR1BHTR6BCHE
SCHEMBL29655195 0.73 HTR6 (0.56) HTR2AMTNR1AMTNR1BHTR6BCHE
SCHEMBL9643992 0.69 DRD2 (0.46) DRD2DRD1DRD5HTR2AHTR2C
SCHEMBL18440732 0.65 CYP19A1 (0.55) HTR2A
SCHEMBL7410004 0.65 ESR1 (0.62) DRD2HTR2AMTNR1AMTNR1BHTR6
SCHEMBL11260060 0.64 HTR2A (0.42) DRD2DRD1DRD5HTR2AHTR2C
SCHEMBL7740360 0.63 MTNR1A (0.67) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL9642903 0.63 GAA (0.39) HTR2AMTNR1AMTNR1BHTR2CHTR6

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-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed