SCHEMBL28631027

SCHEMBL28631027

NC(=O)OC1CCN(c2ccc(Br)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.47
AKR1C3 P42330 1/20 0.44
MAPT P10636 5/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.43
USP2 O75604 2/20 0.41
KMT2A Q03164 1/20 0.41
NPY5R Q15761 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
MBTD1 Q05BQ5 1/20 0.38
TP53BP1 Q12888 1/20 0.38
L3MBTL4 Q8NA19 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL28136124 0.86 GFER (0.49) HRH3MAPTPOLBCYP2C9CYP2C19
SCHEMBL26123821 0.84 HRH3 (0.47) HRH3AKR1C3MAPTPOLBCYP2C9
SCHEMBL578125 0.84 ALDH1A1 (0.46) HRH3AKR1C3MAPTPOLBCYP2C9
SCHEMBL28379144 0.84 POLB (0.52) HRH3MAPTPOLBCYP2C9CYP2C19
SCHEMBL28812232 0.84 ATM (0.42) AKR1C3MAPTUSP2KMT2AGPR119
SCHEMBL29182668 0.82 NPY5R (0.43) HRH3MAPTPOLBCYP2C9CYP2C19
SCHEMBL16669518 0.81 NPY5R (0.45) HRH3AKR1C3MAPTPOLBCYP2C9
SCHEMBL23300904 0.80 MAPT (0.69) AKR1C3MAPTPOLBCYP2C9CYP2C19
SCHEMBL21541871 0.80 MAPT (0.69) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL29105998 0.79 HRH3 (0.38) HRH3MAPTPOLBCYP2C9CYP2C19

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-113453679-A Targeted protein degradation C4医药公司 2021-09-28 CN disclosed