SCHEMBL21002001

SCHEMBL21002001

C[C@@H](c1ccc(-c2ccc(Cl)cc2)cc1)N1CCN(S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)[C@H](C(=O)N2CCC(N)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 11/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
ALOX5 P09917 1/20 0.37
EPHX2 P34913 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
KCNQ1 P51787 1/20 0.37

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
SCHEMBL21001945 1.00 GHSR (0.45) GHSRKMT2AMEN1CHRM2CHRM1
SCHEMBL21035633 1.00 GHSR (0.45) GHSRKMT2AMEN1CHRM2CHRM1
SCHEMBL21035632 0.89 CHRM2 (0.43) KMT2AMEN1CHRM2CHRM1MMP1
SCHEMBL21035634 0.89 CHRM2 (0.43) KMT2AMEN1CHRM2CHRM1MMP1
SCHEMBL21035630 0.87 CHRM2 (0.42) KMT2AMEN1CHRM2CHRM1MMP1
SCHEMBL21035631 0.87 CHRM2 (0.42) KMT2AMEN1CHRM2CHRM1MMP1
SCHEMBL21035628 0.87 KMT2A (0.40) GHSRKMT2AMEN1CHRM2CHRM1
SCHEMBL21035069 0.86 GHSR (0.48) GHSRKMT2AMEN1MMP1MMP3
SCHEMBL21035597 0.86 GHSR (0.48) GHSRKMT2AMEN1MMP1MMP3
SCHEMBL21035342 0.85 GHSR (0.47) GHSRKMT2AMEN1MMP1MMP3

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