SCHEMBL21035538

SCHEMBL21035538

O=C([C@@H]1C[C@H](Oc2ccc(-c3ccc(Cl)cc3)cc2)CCN1S(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
HTR5A P47898 2/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
HTR6 P50406 1/20 0.44
HTR4 Q13639 1/20 0.44
ITGB1 P05556 3/20 0.43
ITGA4 P13612 3/20 0.43
GHSR Q92847 4/20 0.42
KCNQ1 P51787 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL21035132 1.00 TSHR (0.46) TSHRHTR1AHTR7HTR5AHTR1D
SCHEMBL21035011 0.93 HTR2C (0.43) TSHRHTR1AHTR7HTR5AHTR1D
SCHEMBL21034996 0.93 HTR2C (0.43) TSHRHTR1AHTR7HTR5AHTR1D
SCHEMBL21035532 0.93 GHSR (0.47) TSHRHTR1AHTR7HTR5AHTR1D
SCHEMBL21035113 0.93 GHSR (0.47) TSHRHTR1AHTR7HTR5AHTR1D
SCHEMBL21035130 0.93 HTR2C (0.43) TSHRHTR1AHTR7HTR5AHTR1D
SCHEMBL21036267 0.91 GHSR (0.46) TSHRHTR1AHTR7HTR5AHTR1D
SCHEMBL21034997 0.90 ITGB1 (0.47) HTR1AHTR7HTR5AHTR1DHTR1B
SCHEMBL21035001 0.90 ITGB1 (0.47) HTR1AHTR7HTR5AHTR1DHTR1B
SCHEMBL21035412 0.90 ITGB1 (0.47) HTR1AHTR7HTR5AHTR1DHTR1B

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