SCHEMBL30476293

SCHEMBL30476293

CC(C)(C)OC(=O)N1CCC(CN2C(=O)COc3ccc(Br)cc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.49
FPR2 P25090 1/20 0.48
GPR119 Q8TDV5 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.44
BACE1 P56817 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL20580747 0.89 UTS2R (0.48) UTS2RFPR2GPR119L3MBTL1MEN1
SCHEMBL18581596 0.87 UTS2R (0.48) UTS2RFPR2GPR119L3MBTL1MEN1
SCHEMBL18326363 0.84 UTS2R (0.44) UTS2RFPR2GPR119L3MBTL1BACE1
SCHEMBL2979718 0.80 BACE1 (0.47) UTS2RFPR2GPR119BACE1KDM4E
SCHEMBL12105620 0.78 GPR119 (0.41) UTS2RGPR119L3MBTL1BACE1
SCHEMBL16896894 0.75 GPR119 (0.42) UTS2RGPR119L3MBTL1MEN1KMT2A
SCHEMBL24855114 0.75 FPR3 (0.42) UTS2RFPR2KMT2APOLBALDH1A1
SCHEMBL31720616 0.75 FPR3 (0.42) UTS2RFPR2KMT2APOLBALDH1A1
SCHEMBL21559824 0.74 NAMPT (0.37) UTS2RGPR119L3MBTL1MEN1KMT2A
SCHEMBL21552221 0.74 UTS2R (0.39) UTS2RL3MBTL1POLBALDH1A1KDM4E

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-116332937-A Dipeptidyl peptidase I inhibitors and uses thereof 杭州邦顺制药有限公司 2023-06-27 CN disclosed