SCHEMBL21035480

SCHEMBL21035480

NC1CCN(C(=O)[C@H]2CN(Cc3ccc(-c4ccc(Cl)cc4)cc3)CCN2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 8/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP1 P03956 2/20 0.44
MMP9 P14780 2/20 0.44
MMP13 P45452 2/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
ACHE P22303 1/20 0.42
CCR2 P41597 1/20 0.40
PRKAA2 P54646 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
MGLL Q99685 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 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
SCHEMBL21035611 1.00 GHSR (0.46) GHSRMEN1KMT2AMMP1MMP9
SCHEMBL21035105 1.00 GHSR (0.46) GHSRMEN1KMT2AMMP1MMP9
SCHEMBL21035506 0.89 GHSR (0.44) GHSRMMP1MMP9MMP13MMP3
SCHEMBL21035104 0.86 MMP1 (0.42) MEN1KMT2AMMP1MMP9MMP13
SCHEMBL21035474 0.86 MMP1 (0.42) MEN1KMT2AMMP1MMP9MMP13
SCHEMBL21035608 0.86 MMP1 (0.42) MEN1KMT2AMMP1MMP9MMP13
SCHEMBL21035443 0.85 GHSR (0.47) GHSRMEN1KMT2AMMP1MMP9
SCHEMBL21035342 0.85 GHSR (0.47) GHSRMEN1KMT2AMMP1MMP9
SCHEMBL21035601 0.85 GHSR (0.47) GHSRMEN1KMT2AMMP1MMP9
SCHEMBL21035071 0.82 GHSR (0.46) GHSRMEN1KMT2AMMP1MMP9

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