SCHEMBL12101985

SCHEMBL12101985

CC(C)OCC(=O)NC1CCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.58
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 3/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43
EPHX1 P07099 1/20 0.43
ATM Q13315 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL12708609 0.95 NPSR1 (0.66) NPSR1KMT2AMEN1SMN1; SMN2BCHE
SCHEMBL13681670 0.92 NPSR1 (0.52) NPSR1KMT2AMEN1SMN1; SMN2BCHE
SCHEMBL19764243 0.84 GNAI3 (0.49) NPSR1KMT2AMEN1BCHEACHE
SCHEMBL13681678 0.84 NPSR1 (0.45) NPSR1KMT2AMEN1BCHEACHE
SCHEMBL20061878 0.83 LMNA (0.44) NPSR1KMT2AMEN1ALDH1A1
SCHEMBL22332304 0.82 ALDH1A1 (0.46) NPSR1KMT2AALDH1A1
SCHEMBL20061880 0.80 EPHX1 (0.51) NPSR1KMT2AMEN1ALDH1A1EPHX1
SCHEMBL20061877 0.80 KDM4E (0.45) NPSR1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL22332321 0.79 NPSR1 (0.41) NPSR1KMT2AMEN1L3MBTL1HPGD
SCHEMBL25045633 0.79 NPSR1 (0.39) NPSR1KMT2AMEN1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888082-B1 MOTILIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2012-09-12 EP disclosed
US-7582611-B2 Treating disorders of gastric motility; decreasing side effects of erythromycin A PFIZER INC. (US) 2009-09-01 US disclosed