SCHEMBL7009130

SCHEMBL7009130

CCOc1ccc(C(=O)Nc2ccc3c(c2)C2CCCN2CC3)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
TP53 P04637 1/20 0.49
RORC P51449 3/20 0.46
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MAPT P10636 3/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
NR4A1 P22736 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
CHRM1 P11229 1/20 0.42
NAMPT P43490 1/20 0.42
LMNA P02545 1/20 0.41

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
Hydrochloric Acid SCHEMBL7007973 0.99 KCNQ3 (0.49) KCNQ3KCNQ2TP53RORCCNR1
SCHEMBL7009997 0.90 MEN1 (0.52) TP53RORCMAPTALOX15ALOX12
SCHEMBL7009946 0.90 NAMPT (0.52) KCNQ3KCNQ2RORCCNR1CNR2
SCHEMBL7008578 0.89 MAPT (0.56) TP53RORCMAPTALOX15ALOX12
Hydrochloric Acid SCHEMBL7016934 0.89 MEN1 (0.51) TP53RORCMAPTALOX15ALOX12
SCHEMBL7013968 0.89 TP53 (0.51) TP53RORCCNR1CNR2MAPT
Hydrochloric Acid SCHEMBL7008344 0.89 NAMPT (0.52) KCNQ3KCNQ2RORCCNR1CNR2
SCHEMBL7009565 0.88 KCNQ3 (0.48) KCNQ3KCNQ2TP53RORCCNR1
SCHEMBL7008681 0.88 TP53 (0.48) TP53RORCCNR1CNR2MAPT
Hydrochloric Acid SCHEMBL7016604 0.88 KCNQ3 (0.48) KCNQ3KCNQ2TP53RORCCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP claimed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP claimed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO claimed
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP disclosed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO disclosed