SCHEMBL8499176

SCHEMBL8499176

CC(=O)C1(c2ccccc2)CNCCN1C([NH])=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
KMT2A Q03164 1/20 0.35
HTR2A P28223 2/20 0.35
OPRD1 P41143 1/20 0.35
POLB P06746 3/20 0.33
OPRM1 P35372 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
OPRL1 P41146 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL27373175 0.89 SIGMAR1 (0.37) SIGMAR1KMT2AHTR2AOPRD1POLB
SCHEMBL27784454 0.76 KMT2A (0.39) SIGMAR1KMT2AHTR2AOPRD1POLB
SCHEMBL8109695 0.74 SIGMAR1 (0.39) SIGMAR1KMT2AHTR2AOPRD1POLB
SCHEMBL5188679 0.73 KMT2A (0.34) SIGMAR1KMT2AOPRD1OPRM1ALDH1A1
SCHEMBL14833467 0.72 SIGMAR1 (0.38) SIGMAR1KMT2AHTR2AOPRD1POLB
SCHEMBL27662588 0.71 SLC6A2 (0.41) OPRD1OPRL1
SCHEMBL18284816 0.71 SIGMAR1 (0.39) SIGMAR1KMT2AHTR2AOPRD1POLB
SCHEMBL4759637 0.69 HTR2A (0.38) SIGMAR1KMT2AHTR2AOPRD1POLB
SCHEMBL8499541 0.69 POLB (0.35) KMT2APOLBUSP2ALDH1A1TSHR
SCHEMBL2404059 0.69 SIGMAR1 (0.35) SIGMAR1KMT2AHTR2AOPRD1POLB

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
EP-0552417-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-07 EP disclosed
EP-0528312-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 EP disclosed