SCHEMBL4706911

SCHEMBL4706911

O=C(c1ccccc1Cl)c1c(CCOC2CCCCO2)noc1-c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccncc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.33
TACR1 P25103 2/20 0.31
RORB Q92753 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL4706116 0.96 RORC (0.35) RORCTACR1RORBKDM4C
SCHEMBL4639531 0.94 RORC (0.34) RORCTACR1RORB
SCHEMBL4637800 0.90 RORC (0.36) RORCTACR1RORB
SCHEMBL4638885 0.88 TRPV1 (0.32) RORCTACR1KDM4C
SCHEMBL4706769 0.86 RORC (0.33) RORCTACR1RORBKDM4C
SCHEMBL4639414 0.85 MAPK1 (0.36) RORCTACR1RORB
SCHEMBL4638833 0.83 RORB (0.35) RORCTACR1RORB
SCHEMBL4638809 0.83 ALDH1A1 (0.36) RORCKDM4C
SCHEMBL4638821 0.82 TACR1 (0.32) RORCTACR1
SCHEMBL4638022 0.82 RORB (0.33) RORCTACR1RORB

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
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed