SCHEMBL22270547

SCHEMBL22270547

CCC(F)(F)c1ccc(CC(Nc2ccc(-c3nccnc3NC(C)c3ccccc3Cl)cc2)=C2CCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.32
▸ PTGDR2 Q9Y5Y4 2/20 0.31
▸ HTR6 P50406 1/20 0.30
▸ TNF P01375 2/20 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
SCHEMBL19205595 0.86 KCNJ5 (0.42) TRPV1
SCHEMBL19205594 0.86 KCNJ5 (0.42) TRPV1
SCHEMBL19205808 0.78 RORC (0.39) —
SCHEMBL19205809 0.78 RORC (0.39) —
SCHEMBL21796351 0.77 TRPV1 (0.40) TRPV1TRPV4
SCHEMBL19205763 0.77 TRPV1 (0.40) TRPV1TRPV4
SCHEMBL22270887 0.75 KDM4E (0.40) TRPV1PTGDR2
SCHEMBL19205684 0.75 RORC (0.44) —
SCHEMBL19205807 0.75 RORC (0.44) —
SCHEMBL19205643 0.75 RORC (0.44) —

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-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 — — EP disclosed
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