SCHEMBL8216283

SCHEMBL8216283

Bc1cnc2cc(C(=O)N3CCc4c(cccc4NC(C)=O)C3)nn2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.44
BCL2 P10415 1/20 0.39
BAD Q92934 1/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 3/20 0.39
ESR2 Q92731 3/20 0.39
ESR1 P03372 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
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
SCHEMBL1010478 0.89 GRM5 (0.58) GRM5ALDH1A1POLBESR2ESR1
SCHEMBL1010202 0.89 GRM5 (0.49) GRM5BCL2BADALDH1A1POLB
SCHEMBL13719671 0.85 BCL2 (0.41) BCL2BADALDH1A1POLBMAPT
SCHEMBL8212864 0.81 F11 (0.38) GRM5ALDH1A1POLBESR2ESR1
SCHEMBL3816821 0.78 BCL2 (0.41) GRM5BCL2BADALDH1A1POLB
SCHEMBL3820233 0.78 MAPT (0.47) BCL2BADALDH1A1POLBMAPT
SCHEMBL1008827 0.74 GRM5 (0.64) GRM5ALDH1A1POLBESR2ESR1
SCHEMBL1009560 0.73 GRM5 (0.53) GRM5ALDH1A1POLBESR2ESR1
SCHEMBL6786075 0.72 NOTUM (0.56) ALDH1A1LMNA
SCHEMBL8216502 0.72 GRM5 (0.46) GRM5BCL2BADALDH1A1POLB

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
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