SCHEMBL7925960

SCHEMBL7925960

NC1(C(=O)O)CC(COCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.46
GRM6 O15303 1/20 0.45
GRM2 Q14416 1/20 0.43
BUB1 O43683 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
TSHR P16473 1/20 0.41
DRD1 P21728 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
LMNA P02545 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
SCHEMBL14409096 1.00 AGTR2 (0.46) AGTR2GRM6GRM2BUB1CTSL
SCHEMBL7936478 0.84 AGTR2 (0.45) AGTR2BUB1CTSLCTSBCTSK
SCHEMBL7936553 0.82 AGTR2 (0.43) AGTR2BUB1CTSLCTSBCTSK
SCHEMBL14409095 0.79 AGTR2 (0.42) AGTR2BUB1CTSLCTSBCTSK
SCHEMBL9394261 0.79 TSHR (0.48) AGTR2BUB1CTSLCTSBCTSK
SCHEMBL296907 0.78 GRM2 (0.47) GRM6GRM2CTSLCTSBCTSK
SCHEMBL14409083 0.78 GRM2 (0.47) GRM6GRM2CTSLCTSBCTSK
SCHEMBL599216 0.76 TSHR (0.45) AGTR2BUB1CTSLCTSBCTSK
SCHEMBL15927872 0.76 CTSL (0.51) AGTR2CTSLCTSBCTSKTSHR
SCHEMBL1613917 0.76 TSHR (0.48) AGTR2BUB1CTSLCTSBCTSK

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
US-7264792-B2 Solid phase preparation of 18F-labelled amino acids GE HEALTHCARE LIMITED (GB) 2007-09-04 US 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