SCHEMBL28534516

SCHEMBL28534516

CN(C)C(=O)C1C[C@H](c2ccccc2C2CCCN2c2ccc(Br)cc2)CCN1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 4/20 0.35
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CG P48736 1/20 0.33
SCN4A P35499 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
DPP4 P27487 1/20 0.31
FFAR1 O14842 2/20 0.31
BCL2 P10415 1/20 0.30
MASP2 O00187 1/20 0.30
POLB P06746 1/20 0.30
PRCP P42785 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
SCHEMBL28526304 0.83 HRH3 (0.32) PIK3CBCYP2D6CYP2C9MAPK1CYP2C19
SCHEMBL28529794 0.79 HTR2C (0.41) CYP2D6CYP2C9MAPK1CYP2C19
SCHEMBL28529792 0.79 HTR2C (0.41) CYP2D6CYP2C9MAPK1CYP2C19
SCHEMBL31525091 0.79 HTR2C (0.41) CYP2D6CYP2C9MAPK1CYP2C19
SCHEMBL28528279 0.75 CYP2D6 (0.38) CYP2D6CYP2C9MAPK1CYP2C19
SCHEMBL28528284 0.75 CYP2D6 (0.38) CYP2D6CYP2C9MAPK1CYP2C19
SCHEMBL28532862 0.73 MAPT (0.41) CYP2D6CYP2C9MAPK1CYP2C19FFAR1
SCHEMBL29139935 0.73 SIGMAR1 (0.44) CYP2D6CYP2C9CYP2C19BCL2
SCHEMBL28522991 0.72 RBP4 (0.41) CYP2D6CYP2C9MAPK1CYP2C19POLB
SCHEMBL28909558 0.72 HRH3 (0.41) CYP2D6CYP2C9MAPK1CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117683029-A Bcl-2 inhibitors 百济神州有限公司 2024-03-12 CN disclosed
CN-117430601-A Bcl-2 inhibitors 百济神州有限公司 2024-01-23 CN disclosed
CN-112437772-B Bcl-2 inhibitors 百济神州有限公司 2023-11-21 CN disclosed
CN-112437772-A Bcl-2 inhibitors 百济神州有限公司 2021-03-02 CN disclosed