SCHEMBL15925975

SCHEMBL15925975

CCCC1CN(c2ccc(OC)nc2)C(=O)N1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.43
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
DPP4 P27487 1/20 0.37
PIK3CA P42336 6/20 0.37
PIK3CD O00329 5/20 0.37
GRIN2B Q13224 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
SMO Q99835 1/20 0.35
PDK2 Q15119 1/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CRHR1 P34998 1/20 0.35
PIK3CB P42338 1/20 0.34
ALDH1A1 P00352 1/20 0.33
AKT1 P31749 1/20 0.33
MTOR P42345 1/20 0.33
PDE5A O76074 1/20 0.33

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
SCHEMBL15926907 0.82 P2RX7 (0.41) P2RX7DPP4
SCHEMBL1638008 0.71 P2RX7 (0.60) P2RX7CHRNB2CHRNA4DPP4OPRM1
SCHEMBL15925961 0.68 SMN1; SMN2 (0.51) ALDH1A1
SCHEMBL1636802 0.65 P2RX7 (0.55) P2RX7CHRNB2CHRNA4DPP4PIK3CA
SCHEMBL21198026 0.62 OPRM1 (0.48) P2RX7CHRNB2CHRNA4DPP4OPRM1
SCHEMBL26840853 0.61 P2RX7 (0.39) P2RX7GRIN2BALDH1A1
SCHEMBL29741499 0.61 SMN1; SMN2 (0.65) CHRNB2CHRNA4OPRM1OPRL1CHRNB4
SCHEMBL1441410 0.61 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3PDE5A
SCHEMBL7614154 0.61 CHRNB2 (0.45) P2RX7CHRNB2CHRNA4DPP4OPRM1
SCHEMBL7614159 0.61 CHRNB2 (0.45) P2RX7CHRNB2CHRNA4DPP4OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796272-B2 Glycine transporter-inhibiting substances TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-08-05 US disclosed
US-8796272-B2 Glycine transporter-inhibiting substances TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-08-05 US disclosed