SCHEMBL3382133

SCHEMBL3382133

CNCCc1c(C)[nH]c2c(F)cc(OC)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.44
HTR6 P50406 2/20 0.44
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
MAPT P10636 10/20 0.42
MEN1 O00255 8/20 0.42
KMT2A Q03164 8/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TAAR1 Q96RJ0 1/20 0.41
POLB P06746 3/20 0.40
HTR2A P28223 1/20 0.40
HTT P42858 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR1E P28566 1/20 0.39
HTR7 P34969 1/20 0.39
HTR5A P47898 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
SCHEMBL3232335 0.84 HTR1D (0.61) HTR1DHTR6MTNR1AMTNR1BMAPT
SCHEMBL3262319 0.83 HTR1D (0.46) HTR1DHTR6MTNR1AMTNR1BMAPT
SCHEMBL3382767 0.75 KDM4E (0.56) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL31440934 0.75 HTR2A (0.59) MTNR1AMTNR1BHTR2AHTTALDH1A1
SCHEMBL25748613 0.75 HTR2A (0.59) MTNR1AMTNR1BHTR2AHTTALDH1A1
SCHEMBL3264690 0.74 AKR1C2 (0.47) HTR1DHTR6MTNR1AMTNR1BMAPT
SCHEMBL13492871 0.74 MTNR1A (0.60) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL13492873 0.73 ATM (0.63) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL16711790 0.72 KDM4E (0.45) MTNR1AMTNR1BPOLBALDH1A1KDM4E
SCHEMBL18509381 0.70 HTR1D (0.61) HTR1DHTR6MTNR1AMTNR1BMAPT

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
EP-2149552-A1 5,6 substituted benzamide derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP disclosed