SCHEMBL22755322

SCHEMBL22755322

Cc1c[nH]c(=O)c2c(C(=O)N3CCC(Oc4ncccn4)CC3)cn(C)c12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.37
RBP4 P02753 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2J2 P51589 2/20 0.36
HRH1 P35367 1/20 0.35
CCR3 P51677 1/20 0.35
CYP2C19 P33261 2/20 0.35
SPR P35270 2/20 0.35
HSD11B1 P28845 1/20 0.35
RIPK1 Q13546 1/20 0.34
GRIN2B Q13224 1/20 0.33

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
SCHEMBL22755107 0.89 RIPK1 (0.47) EPHX2RBP4HRH1CCR3SPR
SCHEMBL22754904 0.86 CYP46A1 (0.41) EPHX2CYP2C9CYP2J2HRH1CCR3
SCHEMBL22755079 0.85 SPR (0.46) EPHX2HRH1CCR3SPR
SCHEMBL22754898 0.85 NAAA (0.41) EPHX2CYP2C9RIPK1
SCHEMBL22729583 0.85 RBP4 (0.41) EPHX2RBP4CYP2C9CYP2J2CYP2C19
SCHEMBL22755110 0.83 EPHX2 (0.42) EPHX2HRH1CCR3SPRHSD11B1
SCHEMBL22755044 0.82 SCD (0.44) EPHX2HRH1CCR3
SCHEMBL22755292 0.80 GRIN2D (0.46) CYP2C9CYP2C19SPRGRIN2B
SCHEMBL22754905 0.80 HRH1 (0.32) HRH1CCR3SPR
SCHEMBL22754982 0.80 LIPE (0.43) EPHX2HRH1CCR3SPR

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-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 EP disclosed