SCHEMBL16480396

SCHEMBL16480396

CC1CCC(=O)N1c1cccc(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 3/20 0.48
NSD2 O96028 1/20 0.48
ALOX5 P09917 1/20 0.46
NOTUM Q6P988 1/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.43
METAP1 P53582 1/20 0.42
GRM2 Q14416 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL9893103 0.82 NSD2 (0.45) FADS1NSD2ALOX5NOTUMDRD2
SCHEMBL9891737 0.82 NSD2 (0.45) FADS1NSD2ALOX5NOTUMDRD2
SCHEMBL16480373 0.82 POLB (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL6984473 0.80 NOTUM (0.53) FADS1NSD2ALOX5NOTUMDRD2
SCHEMBL9105102 0.80 NOTUM (0.53) FADS1NSD2ALOX5NOTUMDRD2
SCHEMBL16480394 0.79 KMT2A (0.48) ALOX5NOTUMSLC6A2SLC6A4SLC6A3
SCHEMBL7123162 0.79 NOTUM (0.46) FADS1NSD2ALOX5NOTUMDRD2
SCHEMBL7123171 0.79 NOTUM (0.46) FADS1NSD2ALOX5NOTUMDRD2
SCHEMBL16480422 0.78 ALOX5 (0.46) ALOX5
SCHEMBL1937222 0.78 DDB1 (0.44) GRM2SLC6A2SLC6A4SLC6A3

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
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed