SCHEMBL19145307

SCHEMBL19145307

CCN(CC)CC1=C(c2ccc(Cl)cc2)CCC(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 5/20 0.46
BCL2 P10415 6/20 0.41
PTGS2 P35354 4/20 0.38
PTGS1 P23219 3/20 0.38
HRH3 Q9Y5N1 2/20 0.34
MCHR1 Q99705 1/20 0.33
ACHE P22303 1/20 0.32
MAPT P10636 1/20 0.30
CCR5 P51681 1/20 0.30

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
SCHEMBL20082221 0.89 PTGS2 (0.40) BCL2L1BCL2PTGS2PTGS1HRH3
SCHEMBL10058349 0.84 BCL2L1 (0.50) BCL2L1BCL2PTGS2PTGS1
SCHEMBL1677751 0.82 BCL2L1 (0.49) BCL2L1BCL2PTGS2PTGS1
SCHEMBL25215204 0.82 BCL2L1 (0.51) BCL2L1BCL2PTGS2PTGS1
SCHEMBL1113744 0.80 BCL2L1 (0.52) BCL2L1BCL2PTGS2PTGS1ACHE
SCHEMBL18011819 0.80 BCL2L1 (0.49) BCL2L1BCL2PTGS2PTGS1
SCHEMBL24917425 0.78 PTGS1 (0.39) BCL2L1BCL2PTGS2PTGS1HRH3
SCHEMBL19867722 0.78 PTGS1 (0.34) BCL2L1BCL2PTGS2PTGS1ACHE
SCHEMBL22566773 0.76 BCL2L1 (0.44) BCL2L1BCL2PTGS2PTGS1
SCHEMBL25935815 0.76 PTGS2 (0.38) PTGS2PTGS1HRH3MCHR1

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
WO-2017123616-A1 INHIBITING B-CELL LYMPHOMA 2 (BCL-2) AND RELATED PROTEINS MERRIMACK PHARMACEUTICALS, INC. (US) 2017-07-20 WO disclosed