SCHEMBL21035634

SCHEMBL21035634

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.43
CHRM1 P11229 2/20 0.43
RGS12 O14924 1/20 0.41
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
KCNQ1 P51787 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MMP3 P08254 1/20 0.39
MEN1 O00255 1/20 0.39
FFAR1 O14842 1/20 0.39
MMP1 P03956 1/20 0.39
ADAM17 P78536 1/20 0.39
ITGB1 P05556 2/20 0.38
ITGA4 P13612 2/20 0.38
HTT P42858 1/20 0.38
FKBP1A P62942 1/20 0.38

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
SCHEMBL21035632 1.00 CHRM2 (0.43) CHRM2CHRM1RGS12KMT2ANPSR1
SCHEMBL21035631 0.92 CHRM2 (0.42) CHRM2CHRM1RGS12KMT2ANPSR1
SCHEMBL21035630 0.92 CHRM2 (0.42) CHRM2CHRM1RGS12KMT2ANPSR1
SCHEMBL21002001 0.89 GHSR (0.45) CHRM2CHRM1KMT2ANPSR1BCL2L1
SCHEMBL21001945 0.89 GHSR (0.45) CHRM2CHRM1KMT2ANPSR1BCL2L1
SCHEMBL21035633 0.89 GHSR (0.45) CHRM2CHRM1KMT2ANPSR1BCL2L1
SCHEMBL21035628 0.83 KMT2A (0.40) CHRM2CHRM1KMT2ANPSR1MMP3
SCHEMBL21035574 0.80 MMP13 (0.53) KMT2AALDH1A1MMP3FFAR1MMP1
SCHEMBL21034989 0.79 MMP1 (0.45) RGS12KMT2ANPSR1BCL2L1MCL1
SCHEMBL21034991 0.79 MMP1 (0.45) RGS12KMT2ANPSR1BCL2L1MCL1

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