SCHEMBL28534259

SCHEMBL28534259

c1ccc(C2CCCN2C2CC(C3CCNCC3)C2)c(C2CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
HTR2C P28335 8/20 0.38
HTR1A P08908 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL24775589 1.00 OPRM1 (0.38) OPRM1OPRK1HTR2CHTR1ASLC6A2
SCHEMBL26779745 0.88 HTR2C (0.46) OPRM1OPRK1HTR2CHTR1ASLC6A2
SCHEMBL24775597 0.80 OPRM1 (0.43) OPRM1OPRK1HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL28535225 0.79 OPRM1 (0.42) OPRM1OPRK1HTR2CHTR2AHTR2B
SCHEMBL23578824 0.78 OPRM1 (0.37) OPRM1OPRK1HTR2CHTR1ASLC6A2
SCHEMBL23579330 0.78 OPRM1 (0.37) OPRM1OPRK1HTR2CHTR1ASLC6A2
SCHEMBL29747612 0.78 OPRM1 (0.37) OPRM1OPRK1HTR2CHTR1ASLC6A2
SCHEMBL30150849 0.78 OPRM1 (0.37) OPRM1OPRK1HTR2CHTR1ASLC6A2
SCHEMBL31198398 0.75 GPR119 (0.53)
SCHEMBL28519485 0.75 GPR119 (0.53)

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