SCHEMBL17284607

SCHEMBL17284607

CC(=O)NCCCN1CCC(N)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 2/20 0.49
▸ GNAO1 P09471 2/20 0.49
▸ GNAI1 P63096 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ PAOX Q6QHF9 2/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ADRA1A P35348 1/20 0.40

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
SCHEMBL6039578 0.90 GNAI3 (0.43) GNAI3GNAO1GNAI1SMN1; SMN2NPSR1
SCHEMBL13136694 0.85 L3MBTL1 (0.52) SMN1; SMN2TP53DRD2DRD4KDM4E
SCHEMBL21815092 0.85 GNAI3 (0.46) GNAI3GNAO1GNAI1SMN1; SMN2TP53
SCHEMBL861408 0.84 SMN1; SMN2 (0.59) SMN1; SMN2TP53DRD2DRD4KDM4E
SCHEMBL21985476 0.84 SMN1; SMN2 (0.59) SMN1; SMN2TP53DRD2DRD4KDM4E
SCHEMBL22878224 0.83 SMN1; SMN2 (0.45) GNAI3GNAO1GNAI1SMN1; SMN2TP53
SCHEMBL20761009 0.81 SMN1; SMN2 (0.50) GNAI3GNAO1GNAI1SMN1; SMN2TP53
SCHEMBL17281925 0.81 SMN1; SMN2 (0.49) SMN1; SMN2TP53DRD2DRD4KDM4E
SCHEMBL3251521 0.80 MAPK1 (0.52) SMN1; SMN2TP53DRD2DRD4KDM4E
SCHEMBL6700 0.79 DRD2 (0.53) DRD2GAAEPHX1

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-2015177326-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-11-26 — — WO disclosed
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