SCHEMBL7001701

SCHEMBL7001701

CNC1c2ncccc2CCc2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
PDPK1 O15530 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
OPRL1 P41146 5/20 0.34
KCNH2 Q12809 5/20 0.34
CYP2D6 P10635 1/20 0.33

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
SCHEMBL6992704 0.88 PDPK1 (0.45) FNTAFNTBPDPK1OPRL1KCNH2
SCHEMBL5425623 0.78 PDPK1 (0.53) HDAC1HDAC6PDPK1OPRL1KCNH2
SCHEMBL6997518 0.78 HTR2A (0.44) PDPK1CYP2D6
Hydrochloric Acid SCHEMBL18764973 0.77 PDPK1 (0.51) HDAC1HDAC6PDPK1OPRL1KCNH2
SCHEMBL20840606 0.76 P2RX7 (0.36) HDAC1HDAC6PDPK1TRPM8OPRL1
SCHEMBL3081802 0.75 HDAC1 (0.50) HDAC1HDAC6PDPK1CYP2D6
SCHEMBL4891510 0.75 HDAC1 (0.50) HDAC1HDAC6PDPK1CYP2D6
SCHEMBL3088474 0.75 HDAC1 (0.50) HDAC1HDAC6PDPK1CYP2D6
Hydrochloric Acid SCHEMBL4890977 0.74 HDAC1 (0.49) HDAC1HDAC6PDPK1CYP2D6
SCHEMBL5426156 0.74 HDAC1 (0.49) HDAC1HDAC6PDPK1OPRL1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1069132-B1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them SERVIER LAB (FR) 2003-10-01 EP disclosed
EP-1069132-A1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 2001-01-17 EP disclosed