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SCHEMBL6795003

SCHEMBL6795003

CC1(C)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H](CCCCN(C(=O)O)C(C)(C)C)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 20/20 0.86
▸ BCL2 P10415 16/20 0.86
▸ ALB P02768 1/20 0.80
▸ BCL2L2 Q92843 1/20 0.80

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
SCHEMBL6795001 1.00 BCL2L1 (0.86) BCL2L1BCL2ALBBCL2L2
SCHEMBL6799848 0.96 BCL2L1 (0.79) BCL2L1BCL2ALBBCL2L2
SCHEMBL6791105 0.95 BCL2L1 (0.78) BCL2L1BCL2ALBBCL2L2
SCHEMBL6791110 0.95 BCL2L1 (0.78) BCL2L1BCL2ALBBCL2L2
SCHEMBL6795563 0.95 BCL2L1 (0.77) BCL2L1BCL2ALBBCL2L2
SCHEMBL2949972 0.92 BCL2L1 (1.00) BCL2L1BCL2ALBBCL2L2
SCHEMBL6798865 0.92 BCL2L1 (0.73) BCL2L1BCL2ALBBCL2L2
SCHEMBL2951513 0.90 BCL2L1 (1.00) BCL2L1BCL2ALBBCL2L2
SCHEMBL681276 0.89 BCL2L1 (1.00) BCL2L1BCL2ALBBCL2L2
SCHEMBL681275 0.89 BCL2L1 (1.00) BCL2L1BCL2ALBBCL2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 — — US claimed