Sugi Predict

Sugi Predict / Compounds / SCHEMBL4706972

SCHEMBL4706972

SCHEMBL4706972

O=C(c1ccccc1Cl)c1ccncc1-c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RORB Q92753 6/20 0.40
▸ RORC P51449 5/20 0.40
▸ TACR1 P25103 2/20 0.38
▸ GPBAR1 Q8TDU6 10/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GRM2 Q14416 1/20 0.34

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
SCHEMBL4709807 0.94 RORB (0.40) RORBRORCTACR1GPBAR1GRM2
SCHEMBL4708046 0.89 RORB (0.42) RORBRORCTACR1GPBAR1GRM2
SCHEMBL4708296 0.88 RORB (0.41) RORBRORCTACR1GPBAR1GRM2
SCHEMBL4707863 0.88 IDH1 (0.44) RORBRORCTACR1GPBAR1GRM2
SCHEMBL4707848 0.88 RORB (0.41) RORBRORCTACR1GPBAR1NPC1
SCHEMBL4705184 0.86 TACR1 (0.44) RORBRORCTACR1GPBAR1
SCHEMBL4706074 0.85 RORB (0.39) RORBRORCTACR1GPBAR1GRM2
SCHEMBL4706528 0.83 RORB (0.36) RORBRORCTACR1GPBAR1GRM2
SCHEMBL4708172 0.83 RORB (0.46) RORBRORCTACR1GPBAR1MAPK1
SCHEMBL4707869 0.82 NTRK1 (0.39) RORBRORCTACR1GPBAR1RAB9A

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