SCHEMBL4574124

SCHEMBL4574124

C[C@@H]1CN(Cc2cc(F)cc(F)c2F)C(=O)[C@@H](C)N1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.37
HTR2A P28223 1/20 0.32
GRM2 Q14416 1/20 0.32
P2RX7 Q99572 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
DPP4 P27487 1/20 0.31
FAP Q12884 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
PER2 O15055 3/20 0.31
CRY2 Q49AN0 1/20 0.31
ALOX5 P09917 1/20 0.30

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
SCHEMBL4574170 0.79 ATM (0.37) RIPK1HTR2AGRM2P2RX7FNTA
SCHEMBL4574566 0.77 SIGMAR1 (0.40) RIPK1HTR2A
SCHEMBL4590115 0.77 SIGMAR1 (0.40) RIPK1HTR2A
SCHEMBL4574178 0.72 OPRK1 (0.38) RIPK1P2RX7FNTAFNTB
SCHEMBL14013946 0.71 RIPK1 (0.39) RIPK1P2RX7PER2CRY2
SCHEMBL4573906 0.70 RIPK1 (0.37) RIPK1DPP4FAPDPP8DPP9
SCHEMBL5881507 0.69 DDB1 (0.46) GRM2
SCHEMBL4678690 0.69 DDB1 (0.46) GRM2
SCHEMBL1006409 0.69 DDB1 (0.46) GRM2
SCHEMBL2022959 0.69 XIAP (0.40) GRM2

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
WO-2008134035-A1 ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed
WO-2008134035-A1 ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed