SCHEMBL21751591

SCHEMBL21751591

CC1(C)CCC(CN2CCN(c3ccc(C(=O)O)cc3)[C@@H](Br)C2)=C(c2ccc(Cl)cc2)C1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 7/20 0.62
BCL2 P10415 12/20 0.48
BCL2L2 Q92843 1/20 0.39

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
SCHEMBL28447129 1.00 BCL2L1 (0.62) BCL2L1BCL2BCL2L2
SCHEMBL23164961 0.91 BCL2L1 (0.51) BCL2L1BCL2BCL2L2
SCHEMBL21751607 0.91 BCL2L1 (0.51) BCL2L1BCL2BCL2L2
SCHEMBL30857751 0.89 BCL2L1 (0.61) BCL2L1BCL2BCL2L2
SCHEMBL21751694 0.85 BCL2L1 (0.51) BCL2L1BCL2
SCHEMBL2972697 0.84 BCL2L1 (0.85) BCL2L1BCL2BCL2L2
SCHEMBL21751667 0.84 BCL2L1 (0.59) BCL2L1BCL2BCL2L2
Oxalic Acid SCHEMBL29832219 0.83 BCL2L1 (0.82) BCL2L1BCL2BCL2L2
SCHEMBL30857524 0.82 BCL2L1 (0.71) BCL2L1BCL2BCL2L2
SCHEMBL30857743 0.80 BCL2L1 (0.69) BCL2L1BCL2BCL2L2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020041406-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 WO disclosed
WO-2020041405-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 WO disclosed