SCHEMBL7734700

SCHEMBL7734700

OCCCCCc1cc(Cl)cc2nc(Cc3ccccc3Cl)oc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.35
PTK2 Q05397 1/20 0.34
MTNR1A P48039 10/20 0.34
MTNR1B P49286 10/20 0.34
AKR1B1 P15121 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SSTR2 P30874 1/20 0.32
SSTR4 P31391 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL7734337 0.95 NLRP3 (0.36) NLRP3PTK2MTNR1AMTNR1BAKR1B1
SCHEMBL7734093 0.86 SIRT2 (0.37) MTNR1AMTNR1BAKR1B1MAPTSSTR2
SCHEMBL7734231 0.84 RAB9A (0.40) CYP1A2CYP2C9CYP2C19L3MBTL1SSTR2
SCHEMBL7734848 0.84 MAPT (0.38) AKR1B1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7734855 0.84 SIRT2 (0.34) MTNR1AMTNR1BAKR1B1
SCHEMBL7734094 0.83 MEN1 (0.39) NLRP3PTK2MTNR1AMTNR1BLMNA
SCHEMBL7733875 0.82 LMNA (0.41) MTNR1AMTNR1BAKR1B1LMNAMAPT
SCHEMBL7733869 0.82 MTNR1A (0.46) PTK2MTNR1AMTNR1B
SCHEMBL7734340 0.81 ATM (0.41) NLRP3PTK2AKR1B1LMNAMAPT
SCHEMBL7735164 0.80 NLRP3 (0.35) NLRP3PTK2MTNR1AMTNR1BAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US claimed
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US disclosed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed