SCHEMBL7972580

SCHEMBL7972580

O=C1OC[C@H](Cc2ccccc2)N1C(=O)C1CN(Cc2ccccc2)C[C@@H]1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.47
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
MC4R P32245 5/20 0.40
FAAH O00519 1/20 0.39
FUCA1 P04066 2/20 0.39
CCR5 P51681 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
PPARA Q07869 1/20 0.37
HDAC1 Q13547 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
SCHEMBL6106318 1.00 RORC (0.47) RORCDRD2DRD3MC4RFAAH
SCHEMBL7836904 1.00 RORC (0.47) RORCDRD2DRD3MC4RFAAH
SCHEMBL7836897 1.00 RORC (0.47) RORCDRD2DRD3MC4RFAAH
SCHEMBL12303492 1.00 RORC (0.47) RORCDRD2DRD3MC4RFAAH
SCHEMBL6106312 1.00 RORC (0.47) RORCDRD2DRD3MC4RFAAH
SCHEMBL23951605 1.00 RORC (0.47) RORCDRD2DRD3MC4RFAAH
SCHEMBL7494189 1.00 RORC (0.47) RORCDRD2DRD3MC4RFAAH
SCHEMBL8094092 1.00 RORC (0.47) RORCDRD2DRD3MC4RFAAH
SCHEMBL6105682 1.00 RORC (0.47) RORCDRD2DRD3MC4RFAAH
SCHEMBL31177953 1.00 RORC (0.47) RORCDRD2DRD3MC4RFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265434-B1 ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2001-07-24 US disclosed