SCHEMBL21765257

SCHEMBL21765257

CN1CCC2(CC1)NC(=O)N(c1ccc(C#N)cc1)C2=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
ELANE P08246 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
DGAT1 O75907 1/20 0.44
MCHR1 Q99705 1/20 0.43
EGLN1 Q9GZT9 2/20 0.42
EGLN3 Q9H6Z9 2/20 0.42
PGR P06401 4/20 0.41
OPRM1 P35372 2/20 0.40
HTR2B P41595 1/20 0.40
TACR1 P25103 1/20 0.39
AR P10275 1/20 0.39
OPRL1 P41146 1/20 0.38

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
SCHEMBL21151348 0.84 POLB (0.51) POLBELANENPC1RAB9ADGAT1
Hydrochloric Acid SCHEMBL21753212 0.83 POLB (0.50) POLBELANENPC1RAB9ADGAT1
SCHEMBL19534078 0.81 POLB (0.54) POLBELANENPC1RAB9AEGLN1
SCHEMBL21151347 0.79 GPR119 (0.48) POLBELANEDGAT1MCHR1TACR1
SCHEMBL1773546 0.77 AR (0.68) PGRAR
SCHEMBL26041437 0.73 NPC1 (0.38) POLBELANENPC1RAB9ADGAT1
SCHEMBL7037195 0.72 AR (0.46) POLBOPRM1HTR2BAR
SCHEMBL23288931 0.71 POLB (0.50) POLBELANENPC1RAB9ADGAT1
SCHEMBL21151794 0.70 ELANE (0.56) POLBELANEPGROPRM1AR
SCHEMBL24974458 0.70 HIF1A (0.52)

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-2020039029-A1 SPIRO COMPOUNDS AS GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO disclosed