SCHEMBL7747787

SCHEMBL7747787

CNC(=O)OCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.61
GAA P10253 1/20 0.57
GLA P06280 1/20 0.56
BRCA1 P38398 1/20 0.56
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 3/20 0.54
HSD17B10 Q99714 2/20 0.54
POLB P06746 1/20 0.54
APEX1 P27695 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPK1 P28482 1/20 0.53
HPGD P15428 3/20 0.52
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL21459053 0.91 SMN1; SMN2 (0.52) SMN1; SMN2GAAGLABRCA1ALDH1A1
SCHEMBL20515211 0.90 ALDH1A1 (0.55) SMN1; SMN2GAAALDH1A1LMNAKMT2A
SCHEMBL10495293 0.82 SMN1; SMN2 (0.67) SMN1; SMN2GAAGLABRCA1ALDH1A1
SCHEMBL321347 0.82 SMN1; SMN2 (0.62) SMN1; SMN2GAAGLABRCA1ALDH1A1
SCHEMBL7340478 0.80 HSD17B10 (0.60) SMN1; SMN2GAAGLABRCA1ALDH1A1
SCHEMBL12143064 0.80 GAA (0.58) GAAALDH1A1MEN1KMT2ATDP1
SCHEMBL6461119 0.80 SMN1; SMN2 (0.56) SMN1; SMN2GAAGLABRCA1ALDH1A1
SCHEMBL11000826 0.79 ALDH1A1 (0.63) SMN1; SMN2GAAGLABRCA1ALDH1A1
SCHEMBL12797869 0.79 SMN1; SMN2 (0.51) SMN1; SMN2GAAGLABRCA1TSHR
SCHEMBL34474429 0.79 SMN1; SMN2 (0.67) SMN1; SMN2GAAGLABRCA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0622361-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-10-04 EP disclosed
US-6169095-B1 FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES IN THE EYE, SUCH AS ALLERGY, INFLAMMATION AND PAIN OF THE EYE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
US-5922711-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, SHOCK OR ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-13 US disclosed
US-5708173-A PREPARATION OF SUBSTITUTED QUINOLINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
US-5563162-A CAN BE ADMINISTERD FOR THE TREATMENT OF ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASES, SHOCK OR PAIN IN ANIMALS AND HUMANS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-08 US disclosed
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed