SCHEMBL19856975

SCHEMBL19856975

COc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](n2c(C(N)=O)cc3ccccc32)C(C)(C)C)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 1/20 0.34
CPS1 P31327 3/20 0.32
BTK Q06187 2/20 0.32
CYP2C8 P10632 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
CCR2 P41597 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
NPC1 O15118 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
SCHEMBL19856941 0.91 TNF (0.37) POLBMEN1KMT2ACCR2RAB9A
SCHEMBL19856933 0.90 HPGD (0.36) SMN1; SMN2CCR2NPC1RAB9AALDH1A1
SCHEMBL19856992 0.89 CCR2 (0.34) MEN1KMT2ACCR2KDM4EALDH1A1
SCHEMBL19856910 0.89 HCRTR2 (0.37) SMN1; SMN2BTKMEN1KMT2AFLT1
SCHEMBL19856957 0.88 AVPR1A (0.34) CCR2HSD11B1
SCHEMBL19856981 0.88 SIRT3 (0.38) SMN1; SMN2LMNAMEN1KMT2ADRD2
SCHEMBL19856993 0.87 PLA2G10 (0.38) CCR2PLA2G10
SCHEMBL19856929 0.86 CCR2 (0.35) LMNACCR2KDM4EF10TP53
SCHEMBL19857030 0.82 PLA2G10 (0.38) KMT2ACCR2PLA2G10
SCHEMBL19856960 0.82 PLA2G10 (0.38) KCNH2CCR2F10PLA2G10HSD11B1

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
EP-2925857-B1 USE OF TRPV4 ANTAGONISTS TO AMELIORATE HYDROCEPHALUS AND RELATED MATERIALS AND METHODS UNIV INDIANA RES & TECH CORP (US) 2018-02-14 EP claimed