SCHEMBL4081280

SCHEMBL4081280

CC1c2cccc(C(=O)O)c2CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.44
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 1/20 0.37
ESR2 Q92731 3/20 0.36
ESR1 P03372 2/20 0.36
POLB P06746 2/20 0.36
P2RX7 Q99572 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
F11 P03951 1/20 0.35
KLKB1 P03952 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL1012541 0.93 GRM5 (0.44) GRM5ALDH1A1HPGDLMNAESR2
SCHEMBL1013119 0.90 GRM5 (0.44) GRM5ALDH1A1HPGDLMNAPOLB
SCHEMBL1010530 0.90 GRM5 (0.43) GRM5ALDH1A1HPGDLMNAESR2
SCHEMBL1009118 0.90 GRM5 (0.46) GRM5ALDH1A1HPGDLMNAESR2
SCHEMBL4077715 0.89 GRM5 (0.50) GRM5ALDH1A1HPGDLMNAESR2
SCHEMBL1010766 0.89 GRM5 (0.46) GRM5ALDH1A1HPGDLMNAESR2
SCHEMBL1010423 0.89 GRM5 (0.48) GRM5ALDH1A1HPGDLMNAESR2
SCHEMBL1010289 0.88 GRM5 (0.45) GRM5ALDH1A1HPGDLMNAESR2
SCHEMBL1012747 0.88 ESR2 (0.48) GRM5ALDH1A1HPGDLMNAESR2
SCHEMBL1010482 0.86 GRM5 (0.44) GRM5ALDH1A1HPGDLMNAESR2

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-2054416-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 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