SCHEMBL3872849

SCHEMBL3872849

CCOC(OCC)(c1ccc(-n2cncn2)cc1)N1CCC(NC(=O)c2cccc(-c3nn[nH]n3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.44
CSNK2A1 P68400 1/20 0.38
CD38 P28907 2/20 0.37
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 1/20 0.36
USP30 Q70CQ3 1/20 0.35
OPRK1 P41145 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CASR P41180 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL2953675 0.77 SSTR5 (0.51)
SCHEMBL4592061 0.72 CSNK2A1 (0.48) CSNK2A1USP30OPRK1NPSR1DRD2
SCHEMBL2963913 0.72 USP30 (0.57) USP30NPSR1
SCHEMBL2957201 0.68 SSTR5 (0.60)
SCHEMBL2963856 0.67 SSTR5 (0.52)
SCHEMBL16219490 0.67 EPHX2 (0.49) RAB9ASMN1; SMN2CASR
SCHEMBL2963928 0.66 KMT2A (0.50) DRD2DRD4
SCHEMBL26397969 0.65 RAB9A (0.57) SMYD3HPGDRAB9ASMN1; SMN2
SCHEMBL14980317 0.64 HDAC4 (0.55) ROCK2
SCHEMBL28718490 0.63 ADH5 (0.55) NPSR1RAB9ASMN1; SMN2

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-1893603-B1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-10-14 EP disclosed