SCHEMBL7009857

SCHEMBL7009857

CCC(=O)c1cc(C(=O)Nc2ccc3c(c2)C2CCCN2CC3)ccc1OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.41
TP53 P04637 3/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
LMNA P02545 1/20 0.40
ROCK2 O75116 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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 SCHEMBL7010712 0.99 RORC (0.41) RORCTP53CNR1CNR2LMNA
SCHEMBL7008091 0.93 RORC (0.40) RORCTP53CNR1CNR2LMNA
SCHEMBL7006993 0.91 ROCK2 (0.43) RORCCNR1CNR2LMNAROCK2
SCHEMBL7010531 0.91 TP53 (0.44) RORCTP53CNR1CNR2LMNA
SCHEMBL7008681 0.91 TP53 (0.48) RORCTP53CNR1CNR2LMNA
Hydrochloric Acid SCHEMBL7013753 0.91 ROCK2 (0.42) RORCCNR1CNR2LMNAROCK2
Hydrochloric Acid SCHEMBL7007356 0.91 TP53 (0.43) RORCTP53CNR1CNR2LMNA
Hydrochloric Acid SCHEMBL7015074 0.90 TP53 (0.47) RORCTP53CNR1CNR2LMNA
SCHEMBL7008605 0.90 RORC (0.42) RORCTP53CNR1CNR2LMNA
SCHEMBL7011216 0.89 RORC (0.42) RORCTP53CNR1CNR2L3MBTL3

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