SCHEMBL17846504

SCHEMBL17846504

NC(=O)NCC(c1ccccn1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
MAPK1 P28482 4/20 0.51
SMO Q99835 1/20 0.50
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
P2RX7 Q99572 5/20 0.45
THRB P10828 2/20 0.44
DGAT2 Q96PD7 1/20 0.44

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
SCHEMBL16463843 0.86 TP53 (0.58) L3MBTL1MAPK1SMOALDH1A1MAPT
SCHEMBL16460666 0.82 P2RX7 (0.67) ALDH1A1P2RX7
SCHEMBL21338393 0.80 L3MBTL1 (0.53) L3MBTL1MAPK1SMOALDH1A1KDM4E
SCHEMBL16461650 0.80 P2RX7 (0.72) P2RX7
SCHEMBL16461469 0.80 P2RX7 (0.72) ALDH1A1P2RX7
SCHEMBL16461215 0.79 DPP4 (0.56) L3MBTL1MAPK1SMOALDH1A1KDM4E
SCHEMBL16373543 0.79 SMN1; SMN2 (0.50) L3MBTL1MAPK1SMOALDH1A1MAPT
SCHEMBL16461068 0.77 P2RX7 (0.72) P2RX7
SCHEMBL30275033 0.77 L3MBTL1 (0.47) L3MBTL1CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL1991270 0.76 POLB (0.51) L3MBTL1MAPK1SMOALDH1A1HSD17B10

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-2016095089-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO claimed