SCHEMBL7991040

SCHEMBL7991040

COC(=O)c1cccc2c1c(-c1cncc(-c3ccc(Cl)cc3)c1)cn2CCN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
CNR1 P21554 6/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
CNR2 P34972 3/20 0.43
KDM5B Q9UGL1 1/20 0.42
EPHX2 P34913 2/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
SCN2A Q99250 2/20 0.40
SCN10A Q9Y5Y9 2/20 0.40
NR3C1 P04150 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7986724 0.93 FLT1 (0.46) FLT1FLT4KDRCNR1HCRTR1
SCHEMBL7987156 0.92 KDR (0.46) FLT1FLT4KDRCNR1CNR2
SCHEMBL7508991 0.92 CNR1 (0.51) FLT1FLT4KDRCNR1CNR2
SCHEMBL7976639 0.92 FLT1 (0.47) FLT1FLT4KDRCNR1CNR2
SCHEMBL7551283 0.88 KDR (0.49) FLT1FLT4KDRNR3C1TP53
SCHEMBL7555418 0.88 KDR (0.47) FLT1FLT4KDRNR3C1
SCHEMBL7990656 0.88 CYP1A2 (0.48) FLT1FLT4KDRCNR1CNR2
SCHEMBL7513681 0.87 KDR (0.65) FLT1FLT4KDRCNR1CNR2
SCHEMBL7993627 0.85 KDR (0.45) FLT1FLT4KDRSMN1; SMN2
SCHEMBL7554912 0.84 KDR (0.50) FLT1FLT4KDRCNR1CNR2

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
US-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed