SCHEMBL8326197

SCHEMBL8326197

NCC(O)CNCc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.55
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.52
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
DPP7 Q9UHL4 2/20 0.42
GAA P10253 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL3666100 0.89 ALDH1A1 (0.47) DNM1NPC1LMNACYP2D6GAA
SCHEMBL2915394 0.82 DNM1 (0.55) DNM1NPC1LMNAMEN1KMT2A
SCHEMBL14532283 0.81 DNM1 (0.55) DNM1LMNAMEN1KMT2ACYP2D6
SCHEMBL19122419 0.81 DNM1 (0.55) DNM1LMNAMEN1KMT2ACYP2D6
SCHEMBL19545296 0.78 HDAC3 (0.46) DNM1NPC1GAA
SCHEMBL16434845 0.75 LOXL2 (0.50) CYP2D6CYP2C19LOXL2
SCHEMBL13349408 0.75 OPRK1 (0.40) DNM1CYP2D6POLBPLA2G1BATG4B
SCHEMBL13330952 0.74 LMNA (0.60) DNM1NPC1LMNAMEN1KMT2A
SCHEMBL11371821 0.74 GBA1 (0.41) DNM1MEN1KMT2AGAALOXL2
SCHEMBL1796909 0.73 LMNA (0.77) LMNAMEN1KMT2ACHRM2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017185261-A1 MOSAPRIDE ACTIVE METABOLITES, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF 沈阳药科大学 2017-11-02 WO disclosed
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed