SCHEMBL3720316

SCHEMBL3720316

CC(=O)c1cccc2c1N(C(C)=O)CCC2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALOX12 P18054 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B3 P37058 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 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
SCHEMBL9528926 0.83 NOTUM (0.51) NOTUMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL14591324 0.83 NOTUM (0.59) NOTUMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL17544697 0.83 NOTUM (0.59) NOTUMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL29216428 0.81 NOTUM (0.58) NOTUMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL19603153 0.80 NOTUM (0.56) NOTUMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL9789155 0.79 ALOX12 (0.64) NOTUMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL19447114 0.78 NOTUM (0.55) NOTUMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL19603446 0.77 NOTUM (0.52) NOTUMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL29216430 0.77 NOTUM (0.52) NOTUMSMN1; SMN2MEN1KMT2AATM
SCHEMBL19601653 0.76 NOTUM (0.51) NOTUMSMN1; SMN2MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393812-B1 SUBSTITUTED SPIROAMIDES AS B1R-MODULATORS GRUENENTHAL GMBH (DE) 2013-07-03 EP disclosed
EP-2393812-A1 SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS Grünenthal GmbH (DE) 2011-12-14 EP disclosed
WO-2010089127-A1 SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS Grünenthal GmbH (DE) 2010-08-12 WO disclosed