SCHEMBL7008091

SCHEMBL7008091

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.40
TP53 P04637 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
LMNA P02545 1/20 0.39
MTNR1B P49286 2/20 0.38
ROCK2 O75116 4/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD3 P35462 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
SCHEMBL7009857 0.93 RORC (0.41) RORCTP53CNR1CNR2LMNA
Hydrochloric Acid SCHEMBL7010712 0.93 RORC (0.41) RORCTP53CNR1CNR2LMNA
SCHEMBL7014674 0.92 MTNR1B (0.42) RORCLMNAMTNR1BROCK2ALDH1A1
SCHEMBL7012607 0.91 TP53 (0.47) RORCTP53CNR1CNR2LMNA
Hydrochloric Acid SCHEMBL7013991 0.91 MTNR1B (0.42) RORCLMNAMTNR1BROCK2ALDH1A1
Hydrochloric Acid SCHEMBL7841212 0.90 TP53 (0.46) RORCTP53CNR1CNR2LMNA
SCHEMBL7007952 0.90 RORC (0.42) RORCTP53CNR1CNR2MTNR1B
SCHEMBL7010531 0.90 TP53 (0.44) RORCTP53CNR1CNR2LMNA
Hydrochloric Acid SCHEMBL7007356 0.89 TP53 (0.43) RORCTP53CNR1CNR2LMNA
SCHEMBL7008605 0.88 RORC (0.42) RORCTP53CNR1CNR2LMNA

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 2 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-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed