SCHEMBL7008451

SCHEMBL7008451

COc1cc(C(C)(C)C)ccc1C(=O)Nc1cccc2c1CCN1CCCC21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.43
NR1H4 Q96RI1 3/20 0.42
DHODH Q02127 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
RORC P51449 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
NPY1R P25929 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
SCHEMBL7993333 0.83 NR1H4 (0.45) GPR6NR1H4DHODHALDH1A1MAPT
SCHEMBL8517156 0.81 NR1H4 (0.45) GPR6NR1H4DHODHALDH1A1MAPT
SCHEMBL8370671 0.81 NR1H4 (0.46) GPR6NR1H4DHODHALDH1A1MAPT
SCHEMBL8184192 0.79 NR1H4 (0.45) GPR6NR1H4DHODHALDH1A1MAPT
SCHEMBL8185705 0.78 MEN1 (0.47) GPR6NR1H4DHODHALDH1A1MAPT
Hydrochloric Acid SCHEMBL8187880 0.78 NR1H4 (0.45) GPR6NR1H4DHODHALDH1A1MAPT
SCHEMBL7105283 0.74 NR1H4 (0.49) GPR6NR1H4DHODHHTTPOLB
SCHEMBL7797955 0.74 ALDH1A1 (0.48) NR1H4DHODHALDH1A1MAPTLMNA
SCHEMBL7801359 0.73 ABHD6 (0.46) GPR6NR1H4DHODHALDH1A1MAPT
SCHEMBL8185689 0.72 NR1H4 (0.46) NR1H4DHODHALDH1A1MAPTLMNA

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 4 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
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