SCHEMBL7417088

SCHEMBL7417088

N#Cc1ccc(CN2CC[C@@H](C(N)=O)C2=O)o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CSF1R P07333 5/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
F10 P00742 1/20 0.32
SIRT2 Q8IXJ6 2/20 0.32
SIRT1 Q96EB6 2/20 0.32
TP53 P04637 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.31
LMNA P02545 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
SCHEMBL7417093 0.82 CHRM2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4CHRM2
SCHEMBL7418123 0.82 CHRM2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4CHRM2
Hydrochloric Acid SCHEMBL2329944 0.81 CHRM2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4CHRM2
SCHEMBL7416855 0.77 SIRT2 (0.34) F10SIRT2SIRT1TNKSTNKS2
SCHEMBL7424934 0.76 FNTA (0.44) TSHR
SCHEMBL7420430 0.76 KLK6 (0.34) CHRM4F10SIRT2SIRT1TNKS
SCHEMBL2326541 0.73 FPR2 (0.39) CSF1RGAAF10
SCHEMBL7419118 0.72 SIRT2 (0.55) CHRM3SIRT2SIRT1
SCHEMBL8833260 0.72 SIRT2 (0.55) CHRM3SIRT2SIRT1
SCHEMBL7426687 0.72 SIRT2 (0.55) CHRM3SIRT2SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853618-A4 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2000-03-15 EP disclosed
EP-0853618-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-07-22 EP disclosed
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 WO disclosed