SCHEMBL6410346

SCHEMBL6410346

CC#CCN1c2c(cnn(CC(=O)c3ccc([N+](=O)[O-])cc3)c2=O)N(OC(=O)C(F)(F)F)C1N1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.32
ATM Q13315 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NOS1 P29475 1/20 0.31
MAPT P10636 2/20 0.30
GAA P10253 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
SCHEMBL2954508 0.88 DPP4 (0.36) DPP4
SCHEMBL2964028 0.85 DPP4 (0.45) DPP4MEN1KMT2A
SCHEMBL2966572 0.84 DPP4 (0.33) DPP4
SCHEMBL2965090 0.84 DPP4 (0.31) DPP4
SCHEMBL2957134 0.81
SCHEMBL2961605 0.79 NPBWR1 (0.36) DPP4ATMMEN1KMT2AGAA
SCHEMBL2952265 0.79 DPP4 (0.33) DPP4
SCHEMBL2957734 0.79 NPC1 (0.35) DPP4NPC1RAB9AMEN1KMT2A
SCHEMBL2952472 0.79 DRD2 (0.35) DPP4NPC1RAB9AMEN1KMT2A
SCHEMBL2956620 0.78 MRGPRX1 (0.33) DPP4

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-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed