SCHEMBL19904404

SCHEMBL19904404

CC1(C)CCc2cc(N3CCC(C=O)C3)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.42
PKM P14618 2/20 0.39
PKLR P30613 1/20 0.39
OPRM1 P35372 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TRIM24 O15164 1/20 0.37
BRD1 O95696 1/20 0.37
BRPF1 P55201 1/20 0.37
SSTR5 P35346 1/20 0.37
MAPT P10636 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MGAM O43451 2/20 0.35
GAA P10253 2/20 0.35
SI P14410 2/20 0.35
MGAM2 Q2M2H8 2/20 0.35

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
SCHEMBL16695388 0.81 NOTUM (0.51) GHSRSSTR5
SCHEMBL16695084 0.80 GHSR (0.41) GHSRPKMPKLROPRM1MEN1
SCHEMBL4823910 0.76 KMT2A (0.46) GHSRPKMPKLROPRM1MEN1
SCHEMBL11918572 0.73 HRH3 (0.53) KCNH2
SCHEMBL19904646 0.73 HTR6 (0.41) TRIM24MAOB
SCHEMBL16695566 0.71 NOTUM (0.51)
SCHEMBL16695101 0.70 IRAK4 (0.40) MAPT
SCHEMBL16684841 0.70 IRAK4 (0.40) MAPT
SCHEMBL21340137 0.69 MAPT (0.43) GHSRMEN1KMT2AMAPTACACB
SCHEMBL670625 0.69 PKM (0.45) PKMPKLRMEN1KMT2ATRIM24

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
EP-3063141-B1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARM INC (US) 2018-02-28 EP disclosed