SCHEMBL7724927

SCHEMBL7724927

NC(=O)NCCCc1cc(Cl)cc2nc(-c3ccccc3Cl)oc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.44
MTNR1B P49286 9/20 0.44
IKBKB O14920 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.38
C1R P00736 1/20 0.38
KDR P35968 1/20 0.38
PLA2G1B P04054 1/20 0.38
POLB P06746 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
ELANE P08246 1/20 0.37

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
SCHEMBL7724920 0.82 NPC1 (0.42) IKBKBHDAC3HDAC1HDAC2HDAC8
SCHEMBL7733868 0.81 RXRA (0.46) IKBKBHDAC3HDAC1HDAC2HDAC8
SCHEMBL7734118 0.80 HDAC3 (0.42) IKBKBHDAC3HDAC1HDAC2HDAC8
SCHEMBL7724833 0.78 PGK1 (0.45) IKBKBHDAC3HDAC1HDAC2HDAC8
SCHEMBL7724412 0.76 NR4A2 (0.41) IKBKBHDAC3HDAC1HDAC2HDAC8
SCHEMBL7735176 0.76 NPC1 (0.41) IKBKBHDAC3HDAC1HDAC2HDAC8
SCHEMBL7733892 0.75 MAPT (0.40) IKBKBHDAC3HDAC1HDAC2HDAC8
SCHEMBL7725109 0.75 MAPT (0.44) IKBKBHDAC3HDAC1HDAC2HDAC8
SCHEMBL8790418 0.74 MAPT (0.39) IKBKBHDAC3HDAC1HDAC2HDAC8
SCHEMBL8790421 0.74 MAPT (0.39) IKBKBHDAC3HDAC1HDAC2HDAC8

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