SCHEMBL21780697

SCHEMBL21780697

CCc1cnc(C)nc1N1CCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPY5R Q15761 7/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE10A Q9Y233 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.35
HTR6 P50406 1/20 0.35
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL26337498 0.78 GBA1 (0.42) MEN1KMT2ANPY5ROPRM1OPRL1
SCHEMBL21768427 0.75 MAPK1 (0.51) MEN1KMT2ANPY5ROPRM1OPRL1
SCHEMBL19105595 0.74 MAPK1 (0.37) MEN1KMT2ANPY5ROPRM1OPRL1
SCHEMBL25559304 0.73 MEN1 (0.46) MEN1KMT2ANPY5RMAPK1HSD17B10
SCHEMBL22517477 0.72 GBA1 (0.50) KDM4E
SCHEMBL25505874 0.69 LMNA (0.44) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL13165357 0.69 GBA1 (0.39) MEN1KMT2ANPY5RHSD17B10PDE10A
SCHEMBL12186160 0.69 LMNA (0.42) MEN1KMT2AHSD17B10LMNACYP1A2
SCHEMBL23020769 0.67 LMNA (0.41) LMNAKDM4ENOS3NOS1NOS2
SCHEMBL22229900 0.67 ALDH1A1 (0.51) MEN1KMT2AMAPK1HSD17B10L3MBTL1

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
EP-3402781-B1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 EP disclosed