SCHEMBL7829966

SCHEMBL7829966

COC(=O)c1cc(C(=O)N2CCC(O)CC2)cc(-n2cccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.43
GRM3 Q14832 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 2/20 0.41
CACNA1B Q00975 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
GRM5 P41594 1/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
EPHX1 P07099 1/20 0.39

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
SCHEMBL7826810 0.85 HPGD (0.60) MEN1KMT2AHPGDCYP1A2CYP2D6
SCHEMBL2357788 0.81 CA12 (0.48) SMN1; SMN2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL1364655 0.80 RBP4 (0.62) RBP4GRM3MEN1KMT2AEPHX2
SCHEMBL8699873 0.79 ALDH1A1 (0.38) MEN1KMT2AHPGDCYP1A2CYP2D6
SCHEMBL7823729 0.78 SLC9A1 (0.43) CYP2D6CYP2C19ALDH1A1GRM5
SCHEMBL7828377 0.78 CA12 (0.48) HPGDSMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL7815973 0.75 TSHR (0.44) HPGDSMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL7823742 0.75 CA12 (0.43) KMT2ASMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL7827674 0.72 ALDH1A1 (0.45) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL7830993 0.72 L3MBTL1 (0.40) SMN1; SMN2ALDH1A1TSHRLMNAMAPT

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-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed