SCHEMBL7009946

SCHEMBL7009946

COc1ccc(C(=O)Nc2ccc3c(c2)C2CCCN2CC3)cc1F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
NPC1 O15118 2/20 0.50
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
RORC P51449 2/20 0.46
ACKR3 P25106 1/20 0.46
APLNR P35414 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
CHRNA7 P36544 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44

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 SCHEMBL7008344 0.99 NAMPT (0.52) NAMPTNPC1KCNQ3KCNQ2RORC
SCHEMBL7009565 0.91 KCNQ3 (0.48) NAMPTNPC1KCNQ3KCNQ2RORC
Hydrochloric Acid SCHEMBL7016604 0.90 KCNQ3 (0.48) NAMPTNPC1KCNQ3KCNQ2RORC
SCHEMBL7009130 0.90 KCNQ3 (0.50) NAMPTNPC1KCNQ3KCNQ2RORC
Hydrochloric Acid SCHEMBL7007973 0.89 KCNQ3 (0.49) NAMPTNPC1KCNQ3KCNQ2RORC
SCHEMBL7012754 0.89 RORC (0.44) NAMPTNPC1RORCCNR1CNR2
SCHEMBL7012602 0.88 MAPT (0.49) CNR1CNR2MEN1KMT2A
Hydrochloric Acid SCHEMBL7009820 0.88 RORC (0.44) NAMPTNPC1RORCCNR1CNR2
Hydrochloric Acid SCHEMBL7014137 0.87 MAPT (0.49) CNR1CNR2MEN1KMT2A
SCHEMBL7007350 0.86 RORC (0.50) RORC

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