SCHEMBL28529792

SCHEMBL28529792

Brc1ccc(N2CCC[C@@H]2c2ccccc2C2CCNCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.41
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
HTR1A P08908 3/20 0.37
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ADRB2 P07550 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL28529794 1.00 HTR2C (0.41) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL31525091 1.00 HTR2C (0.41) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL28528284 0.90 CYP2D6 (0.38) CYP2D6CYP2C9MAPK1CYP2C19
SCHEMBL28528279 0.90 CYP2D6 (0.38) CYP2D6CYP2C9MAPK1CYP2C19
SCHEMBL24775580 0.86 HRH3 (0.38) CYP2D6CYP2C9MAPK1CYP2C19
SCHEMBL28909558 0.84 HRH3 (0.41) CYP2D6CYP2C9MAPK1CYP2C19HTR2B
SCHEMBL28909552 0.84 HRH3 (0.41) CYP2D6CYP2C9MAPK1CYP2C19HTR2B
SCHEMBL28907800 0.82 HRH1 (0.42) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL28526304 0.81 HRH3 (0.32) HTR2CCYP2D6CYP2C9MAPK1CYP2C19
SCHEMBL28532862 0.80 MAPT (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