SCHEMBL28535286

SCHEMBL28535286

Brc1ccc(N2CCCC2c2ccccc2C2CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.40
CHRNA4 P43681 4/20 0.40
TRPV6 Q9H1D0 1/20 0.36
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
NOS1 P29475 1/20 0.33

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 0.82 CYP2D6 (0.38) OPRM1OPRK1NOS1
SCHEMBL28528284 0.82 CYP2D6 (0.38) OPRM1OPRK1NOS1
SCHEMBL24775580 0.78 HRH3 (0.38) OPRM1OPRK1
SCHEMBL28534879 0.76 OPRM1 (0.39) OPRM1OPRK1
SCHEMBL28538296 0.75 ALDH1A1 (0.39) OPRM1OPRK1
SCHEMBL28529794 0.74 HTR2C (0.41)
SCHEMBL31525091 0.74 HTR2C (0.41)
SCHEMBL28529792 0.74 HTR2C (0.41)
SCHEMBL28909558 0.74 HRH3 (0.41) CHRNB2CHRNA4OPRM1OPRK1
SCHEMBL28909552 0.74 HRH3 (0.41) CHRNB2CHRNA4OPRM1OPRK1

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