SCHEMBL28525720

SCHEMBL28525720

[CH2][C@@H](O)N1CCC(c2ccccc2C2CCCN2c2ccc(Br)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.34
MAPT P10636 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
CACNA1G O43497 1/20 0.30
KCNH2 Q12809 1/20 0.30
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
IGF1R P08069 1/20 0.30
KMT2A Q03164 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
SCHEMBL29139927 0.86 MAPT (0.33) SLC18A3MAPTCYP2D6CYP2C9MAPK1
SCHEMBL28528284 0.85 CYP2D6 (0.38) CYP2D6CYP2C9MAPK1CYP2C19TSHR
SCHEMBL28528279 0.85 CYP2D6 (0.38) CYP2D6CYP2C9MAPK1CYP2C19TSHR
SCHEMBL28909558 0.82 HRH3 (0.41) MAPTCYP2D6CYP2C9MAPK1CYP2C19
SCHEMBL28909552 0.82 HRH3 (0.41) MAPTCYP2D6CYP2C9MAPK1CYP2C19
SCHEMBL24775580 0.81 HRH3 (0.38) MAPTCYP2D6CYP2C9MAPK1CYP2C19
SCHEMBL28532862 0.80 MAPT (0.41) MAPTCYP2D6CYP2C9MAPK1CYP2C19
SCHEMBL31525091 0.79 HTR2C (0.41) SLC18A3CYP2D6CYP2C9MAPK1CYP2C19
SCHEMBL28529792 0.79 HTR2C (0.41) SLC18A3CYP2D6CYP2C9MAPK1CYP2C19
SCHEMBL28529794 0.79 HTR2C (0.41) SLC18A3CYP2D6CYP2C9MAPK1CYP2C19

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