SCHEMBL4698740

SCHEMBL4698740

CC1(Cc2ccc(N)nc2)C(=O)N(C(=O)NCCc2ccccc2)[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.45
PRSS1 P07477 3/20 0.45
NAMPT P43490 2/20 0.38
HDAC1 Q13547 1/20 0.38
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
EPHX1 P07099 1/20 0.37
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ELANE P08246 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
TPSAB1 Q15661 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CPB1 P15086 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MASP2 O00187 2/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL4698747 1.00 F2 (0.45) F2PRSS1NAMPTHDAC1CASP3
SCHEMBL3335569 0.83 MASP2 (0.37) NAMPTCASP3CPB1MASP2
SCHEMBL3340333 0.83 MASP2 (0.37) NAMPTCASP3CPB1MASP2
SCHEMBL4694722 0.67 TAAR1 (0.36) EPHX1ELANENPC1RAB9AGAA
SCHEMBL4696954 0.66 F11 (0.41) ELANESMN1; SMN2
SCHEMBL18291413 0.65 KDM4E (0.56) MAPTSMN1; SMN2HIF1A
SCHEMBL3936679 0.62 MAOB (0.56) SMN1; SMN2
SCHEMBL16609238 0.62 EPHX2 (0.49) F2PRSS1NAMPTCPB1MASP2
SCHEMBL23793677 0.62 MASP2 (0.57) F2MASP2
Hydrochloric Acid SCHEMBL28571397 0.61 MASP2 (0.56) F2MASP2

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
EP-1871741-A2 SUBSTITUTED AZETIDINONES Daiamed, Inc. (US) 2008-01-02 EP disclosed
WO-2006108039-A2 SUBSTITUTED AZETIDINONES DAIAMED, INC. (US) 2006-10-12 WO disclosed