SCHEMBL21035665

SCHEMBL21035665

NC1CC2CCC(C1)N2C(=O)[C@@H]1C[C@@H](Oc2ccc(Cl)cc2)CCN1S(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.42
HTR7 P34969 2/20 0.42
HTR5A P47898 2/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
HTR6 P50406 1/20 0.42
HTR4 Q13639 1/20 0.42
ITGB1 P05556 3/20 0.42
ITGA4 P13612 3/20 0.42
GHSR Q92847 1/20 0.39
HRH1 P35367 2/20 0.38
CCR3 P51677 2/20 0.38
KCNH2 Q12809 1/20 0.38
KCNQ1 P51787 1/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36

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
SCHEMBL21034939 1.00 HTR1A (0.42) HTR1AHTR7HTR5AHTR1DHTR1B
SCHEMBL21034995 1.00 HTR1A (0.42) HTR1AHTR7HTR5AHTR1DHTR1B
SCHEMBL21035133 0.98 HTR1A (0.41) HTR1AHTR7HTR5AHTR1DHTR1B
SCHEMBL21035004 0.98 HTR1A (0.41) HTR1AHTR7HTR5AHTR1DHTR1B
Trifluoroacetic Acid SCHEMBL21002008 0.95 ITGB1 (0.40) HTR1AHTR7HTR5AHTR1DHTR1B
Trifluoroacetic Acid SCHEMBL21002302 0.95 ITGB1 (0.40) HTR1AHTR7HTR5AHTR1DHTR1B
Trifluoroacetic Acid SCHEMBL21002009 0.93 ITGB1 (0.39) HTR1AHTR7HTR5AHTR1DHTR1B
SCHEMBL21035319 0.93 HTR1A (0.39) HTR1AHTR7HTR5AHTR1DHTR1B
SCHEMBL21035403 0.93 HTR1A (0.39) HTR1AHTR7HTR5AHTR1DHTR1B
SCHEMBL21036267 0.88 GHSR (0.46) 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