SCHEMBL26786182

SCHEMBL26786182

CCC(C)CCn1ccnn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
CYP19A1 P11511 6/20 0.35
PADI4 Q9UM07 2/20 0.33
FOLH1 Q04609 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
KMT2A Q03164 1/20 0.30
GPR88 Q9GZN0 1/20 0.30
NOTUM Q6P988 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
SCHEMBL15447136 0.82 DPP4 (0.44) DPP4CYP19A1PADI4FOLH1PSEN1
SCHEMBL3808952 0.80 DPP4 (0.43) DPP4CYP19A1PADI4FOLH1PSEN1
SCHEMBL19935986 0.80 CYP19A1 (0.40) CYP19A1FOLH1GPR88
SCHEMBL5334246 0.79 DPP4 (0.43) DPP4CYP19A1PADI4FOLH1
SCHEMBL28150959 0.78 DPP4 (0.49) DPP4CYP19A1PADI4FOLH1PSEN1
SCHEMBL28150958 0.78 DPP4 (0.49) DPP4CYP19A1PADI4FOLH1PSEN1
SCHEMBL13630968 0.74 DPP4 (0.39) DPP4CYP19A1PADI4FOLH1PSEN1
SCHEMBL10192257 0.74 FDPS (0.38) KMT2A
SCHEMBL27348007 0.74 DPP4 (0.39) DPP4CYP19A1PADI4FOLH1
SCHEMBL11361006 0.73 CYP19A1 (0.48) DPP4CYP19A1FOLH1KMT2A

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-2023212019-A1 PYRIMIDINONE-CONTAINING 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2023-11-02 WO disclosed