SCHEMBL4574348

SCHEMBL4574348

CC(C)[C@@H]1CN(Cc2cc(F)cc(F)c2F)CCN1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.41
RIPK1 Q13546 2/20 0.34
TACR1 P25103 9/20 0.33
BACE1 P56817 3/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MLNR O43193 1/20 0.31

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
SCHEMBL2022959 0.84 XIAP (0.40) GRM2MLNR
SCHEMBL4590377 0.81 MLNR (0.42) GRM2RIPK1TACR1KDM4ESMN1; SMN2
SCHEMBL4573863 0.78 SCN9A (0.36) GRM2RIPK1TACR1KDM4ESMN1; SMN2
SCHEMBL14013388 0.78 SCN9A (0.36) GRM2RIPK1TACR1KDM4ESMN1; SMN2
SCHEMBL14013327 0.78 MLNR (0.36) RIPK1TACR1KDM4ESMN1; SMN2MLNR
SCHEMBL4574465 0.76 GRIN2D (0.48) RIPK1
SCHEMBL14013955 0.75 GRIN2D (0.37) GRM2RIPK1MLNR
SCHEMBL14013795 0.75 MLNR (0.38) RIPK1MLNR
SCHEMBL4573901 0.75 RIPK1 (0.36) GRM2RIPK1MLNR
SCHEMBL14013797 0.75 RIPK1 (0.43) RIPK1MLNR

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