SCHEMBL7615261

SCHEMBL7615261

Cc1ccc(O)cc1C(=O)[C@@H](N)Cc1c[nH]cn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HTR1A P08908 2/20 0.33
NFKB1 P19838 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR7 P34969 1/20 0.33
MTOR P42345 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2059912 0.73
SCHEMBL12279297 0.72 SLC7A5 (0.33) CYP3A4GRIA2CYP1A2SLC7A5
SCHEMBL6338009 0.72 SLC7A5 (0.33) CYP3A4GRIA2CYP1A2SLC7A5
SCHEMBL12279581 0.72 SLC7A5 (0.33) CYP3A4GRIA2CYP1A2SLC7A5
Tyrosine SCHEMBL28433898 0.72 SLC7A5 (0.65) BLMNPSR1HTR1ANFKB1HTR2A
Tyrosine SCHEMBL8316690 0.72 SLC7A5 (0.65) BLMNPSR1HTR1ANFKB1HTR2A
Tyrosine SCHEMBL8315968 0.72 SLC7A5 (0.65) BLMNPSR1HTR1ANFKB1HTR2A
Tyrosine SCHEMBL606713 0.72 SLC7A5 (0.65) BLMNPSR1HTR1ANFKB1HTR2A
Tyrosine SCHEMBL606712 0.72 SLC7A5 (0.65) BLMNPSR1HTR1ANFKB1HTR2A
Histidine SCHEMBL3050310 0.71 SLC7A5 (0.49) BLMNPSR1NFKB1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227117-A1 POLYMERIZATION CATALYSTS FOR POLYESTERS, POLYESTERS PRODUCED WITH THE SAME AND PROCESS FOR PRODUCTION OF POLYESTERS Toyo Boseki Kabushiki Kaisha (JP) 2002-07-31 EP disclosed