SCHEMBL7926366

SCHEMBL7926366

NC1(C(=O)O)CCC(OCc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.57
OPRM1 P35372 2/20 0.54
OPRL1 P41146 2/20 0.54
SIGMAR1 Q99720 2/20 0.48
EPHX2 P34913 1/20 0.46
GRM2 Q14416 2/20 0.45
GRM3 Q14832 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
BCHE P06276 2/20 0.43
TMEM97 Q5BJF2 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL14409083 0.84 GRM2 (0.47) DPP4OPRM1OPRL1EPHX2GRM2
SCHEMBL296907 0.84 GRM2 (0.47) DPP4OPRM1OPRL1EPHX2GRM2
SCHEMBL31471360 0.83 OPRM1 (0.55) DPP4OPRM1OPRL1SIGMAR1EPHX2
SCHEMBL651048 0.82 OPRM1 (0.57) DPP4OPRM1OPRL1SIGMAR1EPHX2
SCHEMBL27660459 0.79 FABP7 (0.47) GRM2GRM3ALDH1A1
SCHEMBL28093355 0.78 OPRM1 (0.50) DPP4OPRM1OPRL1SIGMAR1EPHX2
SCHEMBL14451368 0.78 DPP4 (0.68) DPP4OPRM1OPRL1SIGMAR1EPHX2
Bicarbonate SCHEMBL5176713 0.77 OPRM1 (0.50) DPP4OPRM1OPRL1SIGMAR1EPHX2
SCHEMBL7948472 0.77 DPP4 (0.58) DPP4OPRM1OPRL1SIGMAR1EPHX2
Hydrochloric Acid SCHEMBL5514632 0.77 DPP4 (0.67) DPP4OPRM1OPRL1SIGMAR1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001958-A2 STEREOSELECTIVE SYNTHESIS OF AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 2007-01-04 WO disclosed
EP-0862464-A4 AMINO ACID ANALOGS FOR TUMOR IMAGING UNIV EMORY (US) 2001-07-25 EP disclosed
US-5817776-A TECHNETIUM 99 COMPLEXES, SINGLE PHOTON EMISSION TOMOGRAPHY EMORY UNIVERSITY (US) 1998-10-06 US disclosed
US-5808146-A Amino acid analogs for tumor imaging EMORY UNIVERSITY (US) 1998-09-15 US disclosed
EP-0862464-A1 AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 1998-09-09 EP disclosed
WO-1997017092-A1 AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 1997-05-15 WO disclosed