SCHEMBL21035331

SCHEMBL21035331

NC1CCN(C(=O)[C@H]2CN(Cc3ccc(-c4ccc(Cl)cc4)cc3)CCN2S(=O)(=O)c2ccc3cc(OC4CCCC4)ccc3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 9/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41
CHEK2 O96017 1/20 0.41
HTR1A P08908 2/20 0.39
HTR7 P34969 2/20 0.39
HTR5A P47898 2/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
HTR6 P50406 1/20 0.39
HTR4 Q13639 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 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
SCHEMBL21035071 1.00 GHSR (0.46) GHSRMEN1KMT2AKCNH2MCHR1
SCHEMBL21035344 1.00 GHSR (0.46) GHSRMEN1KMT2AKCNH2MCHR1
SCHEMBL21002018 0.90 GHSR (0.40) GHSRMEN1KMT2AKCNH2MCHR1
SCHEMBL21036182 0.90 GHSR (0.40) GHSRMEN1KMT2AKCNH2MCHR1
SCHEMBL21034962 0.90 GHSR (0.40) GHSRMEN1KMT2AKCNH2MCHR1
SCHEMBL21036183 0.90 GHSR (0.40) GHSRMEN1KMT2AKCNH2MCHR1
SCHEMBL21034966 0.90 GHSR (0.40) GHSRMEN1KMT2AKCNH2MCHR1
SCHEMBL21036231 0.90 CHEK2 (0.40) GHSRKCNH2MCHR1CHEK2HTR1A
SCHEMBL21036187 0.90 CHEK2 (0.40) GHSRKCNH2MCHR1CHEK2HTR1A
SCHEMBL21035094 0.90 CHEK2 (0.40) GHSRKCNH2MCHR1CHEK2HTR1A

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
WO-2019104011-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2019-05-31 WO disclosed