SCHEMBL7508980

SCHEMBL7508980

CC(CCN(C)C)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
GABRR1 P24046 2/20 0.34
NOS2 P35228 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
USP2 O75604 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
Hydrochloric Acid SCHEMBL21197508 0.98 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3GABRR1
SCHEMBL7159682 0.86 NOS2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3NOS2
Hydrochloric Acid SCHEMBL21197485 0.85 ALDH1A1 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3NOS2
SCHEMBL28693236 0.85 ALDH1A1 (0.40) NOS2NOS3NOS1TDP1CA1
SCHEMBL28787264 0.80 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3GABRR1
SCHEMBL27847066 0.79 MEN1 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3GABRR1
SCHEMBL1672355 0.78 GABRR1 (0.52) GABRR1HTR2AHRH1CYP1A2
SCHEMBL847328 0.78 GABRR1 (0.52) GABRR1HTR2AHRH1CYP1A2
SCHEMBL5790691 0.78 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4GABRR1CHRM2
SCHEMBL6824546 0.78 USP2 (0.35) CHRNB2CHRNA4CHRNB4GABRR1CHRM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240148-A1 BENZO[A]PHENAZIN-11-CARBOXAMIDE DERIVATIVES AND THEIR USE AS JOINT INHIBITORS OF TOPOMERASE I AND II Xenova Limited (GB) 2002-09-18 EP claimed
WO-2001046157-A1 BENZO[A]PHENAZIN-11-CARBOXAMIDE DERIVATIVES AND THEIR USE AS JOINT INHIBITORS OF TOPOMERASE I AND II XENOVA LIMITED (GB) 2001-06-28 WO claimed
EP-1240148-A1 BENZO[A]PHENAZIN-11-CARBOXAMIDE DERIVATIVES AND THEIR USE AS JOINT INHIBITORS OF TOPOMERASE I AND II Xenova Limited (GB) 2002-09-18 EP disclosed
WO-2001046157-A1 BENZO[A]PHENAZIN-11-CARBOXAMIDE DERIVATIVES AND THEIR USE AS JOINT INHIBITORS OF TOPOMERASE I AND II XENOVA LIMITED (GB) 2001-06-28 WO disclosed