SCHEMBL29446571

SCHEMBL29446571

CCn1cc(-c2nc3cc(Br)c(C(=O)N4CCO[C@H](c5ccc(F)cc5)[C@H]4CO)cc3n2C)c2ccc(C#N)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE12 Q6L8Q7 2/20 1.00
KDM1A O60341 4/20 0.34
FASN P49327 11/20 0.32
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
AR P10275 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL30357429 0.69 PDE12 (1.00) PDE12KDM1AFASN
SCHEMBL29446570 0.59 PDE12 (0.41) PDE12
SCHEMBL4808301 0.54 PGR (0.39) PDE12KDM1ANR3C1PGRNR3C2
SCHEMBL17883794 0.53 CYP11B2 (0.40) PDE12
SCHEMBL4812180 0.52 CYP11B1 (0.41) KDM1ANR3C1PGRNR3C2AR
SCHEMBL17896616 0.52 CYP11B2 (0.43)
SCHEMBL4813751 0.52 PLA2G4A (0.46) KDM1ANR3C1PGRNR3C2AR
SCHEMBL17896612 0.51 CYP11B2 (0.52)
SCHEMBL31347092 0.51 DAPK3 (0.44)
SCHEMBL10175104 0.51 CYP11B2 (0.45)

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
CN-114213354-A Preparation method of trans-2- (substituted phenyl) -3-hydroxymethyl morpholine 上海皓元生物医药科技有限公司 2022-03-22 CN disclosed