SCHEMBL29076932

SCHEMBL29076932

O=C1C[C@@H](COCc2ccccc2)CN1CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
ATM Q13315 1/20 0.49
HPGD P15428 1/20 0.46
POLB P06746 3/20 0.46
DPP4 P27487 2/20 0.46
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL29076936 1.00 L3MBTL1 (0.53) L3MBTL1ATMHPGDPOLBDPP4
SCHEMBL6464563 0.80 HPGD (0.50) L3MBTL1ATMHPGDPOLBDPP4
SCHEMBL6453967 0.80 HPGD (0.53) L3MBTL1ATMHPGDPOLBDPP4
SCHEMBL14661808 0.80 HPGD (0.53) L3MBTL1ATMHPGDPOLBDPP4
SCHEMBL6648103 0.80 DPP4 (0.52) L3MBTL1ATMHPGDPOLBDPP4
SCHEMBL8508142 0.80 HPGD (0.53) L3MBTL1ATMHPGDPOLBDPP4
SCHEMBL6646350 0.80 DPP4 (0.52) L3MBTL1ATMHPGDPOLBDPP4
SCHEMBL14662667 0.78 HPGD (0.51) L3MBTL1ATMHPGDPOLBDPP4
SCHEMBL3866848 0.77 POLB (0.49) L3MBTL1ATMHPGDPOLBDPP4
SCHEMBL3867596 0.77 POLB (0.49) L3MBTL1ATMHPGDPOLBDPP4

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-115003673-B Dihydropyrimidine compound, preparation method and application thereof 上海维申医药有限公司 2023-08-11 CN disclosed