SCHEMBL8212864

SCHEMBL8212864

Bc1cnc2cc(C(=O)N3CCc4c(NC(C)=O)cccc4C3C)nn2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.38
KLKB1 P03952 1/20 0.38
GRM5 P41594 8/20 0.37
ADRA2A P08913 1/20 0.36
POLB P06746 5/20 0.36
TDP1 Q9NUW8 5/20 0.36
ALDH1A1 P00352 5/20 0.36
ESR2 Q92731 4/20 0.36
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR4A1 P22736 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ESR1 P03372 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL1011045 0.90 GRM5 (0.43) F11KLKB1GRM5ADRA2APOLB
SCHEMBL1010236 0.90 GRM5 (0.48) GRM5POLBTDP1ALDH1A1ESR2
SCHEMBL13719953 0.86 F11 (0.39) F11KLKB1ADRA2APOLBTDP1
SCHEMBL12952498 0.82 GRM5 (0.37) GRM5POLBTDP1ALDH1A1ESR2
SCHEMBL8216283 0.81 GRM5 (0.44) GRM5POLBTDP1ALDH1A1ESR2
SCHEMBL8215209 0.81 ESR2 (0.37) GRM5POLBTDP1ALDH1A1ESR2
SCHEMBL8221373 0.79 ALDH1A1 (0.41) GRM5POLBTDP1ALDH1A1ESR2
SCHEMBL3817241 0.79 F11 (0.39) F11KLKB1GRM5ADRA2APOLB
SCHEMBL3810553 0.79 F11 (0.43) F11KLKB1ADRA2APOLBTDP1
SCHEMBL8223752 0.78 GRM5 (0.37) GRM5POLBTDP1ALDH1A1ESR2

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
EP-2295439-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2011-03-16 EP disclosed
EP-2054416-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO KGAA (DE) 2011-01-05 EP disclosed
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed