SCHEMBL7006777

SCHEMBL7006777

CCc1ccc2cc3c(=O)n(C)ccn3c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.39
DAO P14920 1/20 0.37
PARP1 P09874 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
PGR P06401 1/20 0.35
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
RORB Q92753 1/20 0.35
TP53 P04637 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 2/20 0.34

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
SCHEMBL7005436 0.80 MAPT (0.38) HTR7DAOCYP1A2CYP2A6MEN1
SCHEMBL7006296 0.78 TP53 (0.38) HTR7CCNE2CDK4CCND1CCNE1
SCHEMBL7006877 0.78 HTR3E (0.37) HTR7DAOCCNE2CDK4CCND1
SCHEMBL7006177 0.78 DAO (0.36) DAOCDK4CCND1SMN1; SMN2MEN1
SCHEMBL7005666 0.77 DAO (0.41) HTR7DAOPARP1CYP1A2CYP2A6
SCHEMBL7003133 0.76 CA2 (0.44) HTR7CCNE2CDK4CCND1CCNE1
SCHEMBL7004254 0.76 DAO (0.46) DAOPARP1TP53SMN1; SMN2MEN1
SCHEMBL7005787 0.75 POLB (0.41) SMN1; SMN2KDM4ETDP2L3MBTL1PLA2G10
SCHEMBL7007358 0.75 CREBBP (0.39) HPGDHSD17B10KDM4EMAPTALDH1A1
SCHEMBL7006729 0.73 ALOX5 (0.48) HTR7CCNE2CDK4CCND1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200439-B1 1,2-DIHYDRO-1-OXO-PARAZINO(1,2-A) INDOLE DERIVATIVES NOVUSPHARMA SPA (IT) 2003-06-25 EP disclosed