SCHEMBL7746799

SCHEMBL7746799

COCCN(C(=O)c1ccncc1)c1ccc(/C=C/C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 4/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2D6 P10635 4/20 0.44
CYP1B1 Q16678 4/20 0.44
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
MLYCD O95822 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
TSHR P16473 1/20 0.39
TBXAS1 P24557 1/20 0.38
PDE10A Q9Y233 2/20 0.38

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
SCHEMBL7746802 1.00 CYP1A1 (0.44) CYP1A1CYP1A2CYP2D6CYP1B1THRB
SCHEMBL7748510 0.87 CA12 (0.47) CYP1A1CYP1A2CYP2D6CYP1B1KDM4E
SCHEMBL7748512 0.87 CA12 (0.47) CYP1A1CYP1A2CYP2D6CYP1B1KDM4E
SCHEMBL7747920 0.81 THRB (0.49) CYP1A2THRBATMKDM4EALDH1A1
SCHEMBL7747922 0.81 THRB (0.49) CYP1A2THRBATMKDM4EALDH1A1
SCHEMBL7746543 0.77 THRB (0.50) THRBATMKDM4EALDH1A1HSD17B10
SCHEMBL7746546 0.77 THRB (0.50) THRBATMKDM4EALDH1A1HSD17B10
SCHEMBL7747928 0.72 TRPM8 (0.47) CYP1A2CYP2D6KDM4EALDH1A1TRPM8
SCHEMBL7747932 0.72 TRPM8 (0.47) CYP1A2CYP2D6KDM4EALDH1A1TRPM8
SCHEMBL7742836 0.69 HCAR2 (0.46) CYP1A1CYP1A2CYP2D6CYP1B1THRB

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-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-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