SCHEMBL28534879

SCHEMBL28534879

Brc1cccc(N2CCCC2c2ccccc2C2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 3/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
MGLL Q99685 1/20 0.35

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
SCHEMBL28528279 0.84 CYP2D6 (0.38) OPRM1OPRK1KMT2A
SCHEMBL28528284 0.84 CYP2D6 (0.38) OPRM1OPRK1KMT2A
SCHEMBL28538296 0.80 ALDH1A1 (0.39) OPRM1OPRK1ALDH1A1KMT2A
SCHEMBL24775580 0.80 HRH3 (0.38) OPRM1OPRK1MGLL
SCHEMBL28519576 0.77 NOS1 (0.37) OPRM1OPRD1OPRK1ALDH1A1KMT2A
SCHEMBL28909558 0.76 HRH3 (0.41) OPRM1OPRD1OPRK1
SCHEMBL28529792 0.76 HTR2C (0.41)
SCHEMBL28535286 0.76 CHRNB2 (0.40) OPRM1OPRK1
SCHEMBL31525091 0.76 HTR2C (0.41)
SCHEMBL28529794 0.76 HTR2C (0.41)

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