SCHEMBL6507412

SCHEMBL6507412

CC(C)(Cc1cccc(CC(=O)N2CCN(c3ccccn3)CC2)c1)NCC(O)c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 5/20 0.49
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADRB2 P07550 6/20 0.46
ME2 P23368 1/20 0.46
ME1 P48163 1/20 0.46
ME3 Q16798 1/20 0.46
POLB P06746 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CASP1 P29466 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL3915463 0.93 KDM4E (0.49) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL6531802 0.88 ADRB2 (0.49) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL6533340 0.85 ADRB2 (0.49) ADRB2POLB
SCHEMBL6508632 0.85 ADRB2 (0.49) ADRB2ME2ME1ME3POLB
SCHEMBL6529084 0.85 ADRB2 (0.51) ADRB2POLBKMT2AMEN1
SCHEMBL6482712 0.84 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL6509325 0.84 ADRB2 (0.48) ADRB2POLBKMT2AMEN1
SCHEMBL6506995 0.83 ADRB2 (0.47) L3MBTL1ADRB2POLB
SCHEMBL6530357 0.82 ADRB2 (0.47) KDM4EL3MBTL1ADRB2POLBKMT2A
SCHEMBL6503586 0.80 ADRB2 (0.48) ADRB2KMT2AMEN1

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-2005092841-A1 COMPOUNDS HAVING BETA-AGONIST ACTIVITY PFIZER LIMITED (GB) 2005-10-06 WO disclosed