SCHEMBL9989583

SCHEMBL9989583

COc1ccc(-n2nc(CCC(=O)NCc3cc(C)ccc3N3CCN(C)CC3)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 9/20 0.42
HTR7 P34969 2/20 0.42
ALOX5 P09917 2/20 0.42
PTGS2 P35354 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
P2RX7 Q99572 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR6 P50406 1/20 0.39
PTGS1 P23219 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
SCHEMBL9988823 0.88 RXRA (0.43) CCKARHTR7ALOX5PTGS2RXRA
SCHEMBL9989267 0.87 CCKAR (0.47) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9990088 0.87 RXRA (0.45) HTR7ALOX5PTGS2RXRARXRB
SCHEMBL9988490 0.83 LMNA (0.49) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9988521 0.83 TP53 (0.42) HTR7ALOX5PTGS2RXRARXRB
SCHEMBL9988533 0.83 LMNA (0.49) ALOX5PTGS2RXRARXRBRXRG
SCHEMBL9990073 0.83 RXRA (0.48) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9989011 0.83 RXRA (0.48) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9988516 0.81 RXRA (0.48) CCKARALOX5PTGS2RXRARXRB
SCHEMBL9988639 0.81 RXRA (0.46) CCKARALOX5PTGS2RXRARXRB

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-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO claimed