SCHEMBL8586277

SCHEMBL8586277

NC(=O)C1(C(N)=O)CCC(OCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.51
OPRM1 P35372 2/20 0.48
OPRL1 P41146 2/20 0.48
EPHX2 P34913 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
AGTR2 P50052 2/20 0.39
HDAC4 P56524 1/20 0.39
BCHE P06276 1/20 0.39
TSHR P16473 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 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
SCHEMBL7936878 0.88 DPP4 (0.46) DPP4OPRM1OPRL1EPHX2CYP2C19
SCHEMBL8536152 0.81 OPRM1 (0.47) DPP4OPRM1OPRL1EPHX2SIGMAR1
SCHEMBL8050802 0.79 ADAM17 (0.43) DPP4OPRM1OPRL1EPHX2SMN1; SMN2
SCHEMBL2640274 0.79 EPHX2 (0.47) DPP4OPRM1OPRL1EPHX2AGTR2
SCHEMBL7938718 0.78 CTSL (0.41) EPHX2CYP2C19SMN1; SMN2AGTR2TSHR
SCHEMBL31471412 0.78 DPP4 (0.44) DPP4OPRM1OPRL1EPHX2CYP2C19
SCHEMBL23364774 0.77 DPP4 (0.61) DPP4OPRM1OPRL1EPHX2SIGMAR1
SCHEMBL7926366 0.77 DPP4 (0.57) DPP4OPRM1OPRL1EPHX2SIGMAR1
SCHEMBL11945826 0.75 OPRM1 (0.55) DPP4OPRM1OPRL1EPHX2SIGMAR1
SCHEMBL31471360 0.75 OPRM1 (0.55) DPP4OPRM1OPRL1EPHX2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1997017092-A1 AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 1997-05-15 WO disclosed