SCHEMBL31350320

SCHEMBL31350320

Cc1sc2cccc(OCc3ccccc3)c2c1C(=O)NC1CN(C)CC1(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.38
HTR3A P46098 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HCN1 O60741 1/20 0.35
HCN4 Q9Y3Q4 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
CNR2 P34972 2/20 0.34
FAAH O00519 1/20 0.34
CNR1 P21554 1/20 0.34
EZH2 Q15910 1/20 0.34
BACE1 P56817 1/20 0.34
NPC1 O15118 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33

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
SCHEMBL31350345 0.89 HTR3A (0.39) EDNRAHTR3AMEN1KMT2AALDH1A1
SCHEMBL30655972 0.82 EDNRA (0.41) EDNRAHTR3AMEN1KMT2AALDH1A1
SCHEMBL31350342 0.81 SLC6A5 (0.46) HTR3AMEN1KMT2AALDH1A1SGMS2
SCHEMBL31350335 0.81 MEN1 (0.49) HTR3AMEN1KMT2AALDH1A1SGMS2
SCHEMBL31350404 0.77 MEN1 (0.47) EDNRAMEN1KMT2ASGMS2NPC1
SCHEMBL31350339 0.75 EDNRA (0.53) EDNRAMEN1KMT2ASGMS2PTGER1
SCHEMBL30656300 0.73 EDNRA (0.41) EDNRAHTR3AKMT2AALDH1A1CNR2
SCHEMBL31350337 0.73 SLC6A5 (0.55) HCN1HCN4
SCHEMBL31350348 0.72 EDNRA (0.42) EDNRAMEN1KMT2ASGMS2NPC1
SCHEMBL31350331 0.72 HTR3A (0.46) HTR3AMEN1KMT2AALDH1A1SGMS2

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
CN-119421879-A Novel derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2025-02-11 CN claimed
CN-119421879-A Novel derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2025-02-11 CN disclosed