SCHEMBL6992704

SCHEMBL6992704

CNC1c2ccccc2CCc2cccnc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.45
OPRL1 P41146 5/20 0.38
KCNH2 Q12809 5/20 0.38
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
P2RX7 Q99572 2/20 0.36
RET P07949 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.35

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
SCHEMBL7001701 0.88 HDAC1 (0.36) PDPK1OPRL1KCNH2FNTAFNTB
SCHEMBL6997518 0.87 HTR2A (0.44) PDPK1HTR2AADRA1A
SCHEMBL6998985 0.80 PDPK1 (0.59) PDPK1KCNH2RETHTR2AADRA1A
Hydrochloric Acid SCHEMBL6718185 0.79 PDPK1 (0.57) PDPK1RETHTR2A
SCHEMBL8355428 0.78 HTR2A (0.39) PDPK1OPRL1KCNH2FNTAFNTB
SCHEMBL22193900 0.78 HTR2A (0.39) PDPK1OPRL1KCNH2FNTAFNTB
SCHEMBL12050760 0.78 FNTA (0.45) OPRL1KCNH2FNTAFNTBRET
SCHEMBL4969358 0.76 FNTA (0.41) OPRL1KCNH2FNTAFNTBP2RX7
SCHEMBL16559388 0.75 SLC6A2 (0.39) PDPK1OPRL1KCNH2FNTAFNTB
SCHEMBL22193783 0.75 RET (0.39) OPRL1KCNH2FNTAFNTBP2RX7

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