SCHEMBL7938718

SCHEMBL7938718

NC(=O)C1(C(N)=O)CCC(COCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
AGTR2 P50052 1/20 0.40
SPHK1 Q9NYA1 2/20 0.39
EPHX2 P34913 1/20 0.39
SGPL1 O95470 1/20 0.39
S1PR1 P21453 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL7936553 0.89 AGTR2 (0.43) CTSLCTSBCTSKAGTR2EPHX2
SCHEMBL7936478 0.80 AGTR2 (0.45) CTSLCTSBCTSKAGTR2EPHX2
SCHEMBL8586277 0.78 DPP4 (0.51) CTSLCTSBCTSKAGTR2EPHX2
SCHEMBL16398138 0.74 TSHR (0.57) CTSLCTSBCTSKAGTR2CYP2C19
SCHEMBL16398139 0.74 TSHR (0.57) CTSLCTSBCTSKAGTR2CYP2C19
SCHEMBL14409096 0.74 AGTR2 (0.46) CTSLCTSBCTSKAGTR2TSHR
SCHEMBL7925960 0.74 AGTR2 (0.46) CTSLCTSBCTSKAGTR2TSHR
SCHEMBL1700657 0.74 CTSL (0.45) CTSLCTSBCTSKAGTR2TSHR
Hydrochloric Acid SCHEMBL5516807 0.73 CTSL (0.44) CTSLCTSBCTSKTSHR
Hydrochloric Acid SCHEMBL5516806 0.73 CTSL (0.44) CTSLCTSBCTSKTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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