SCHEMBL22394320

SCHEMBL22394320

CCCCN[C@@H](CO)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 17/20 0.47
▸ ADRB2 P07550 2/20 0.39
▸ TLR8 Q9NR97 1/20 0.38

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
SCHEMBL22394319 0.97 TRPV3 (0.47) TRPV3ADRB2TLR8
SCHEMBL22394321 0.96 TRPV3 (0.46) TRPV3ADRB2TLR8
SCHEMBL22394311 0.96 TRPV3 (0.46) TRPV3ADRB2TLR8
SCHEMBL22394304 0.88 TRPV3 (0.43) TRPV3
SCHEMBL22394308 0.86 TRPV3 (0.48) TRPV3
SCHEMBL22394306 0.83 TRPV3 (0.46) TRPV3
SCHEMBL22321567 0.80 KCNH2 (0.44) TRPV3ADRB2TLR8
SCHEMBL22321622 0.80 KCNH2 (0.44) TRPV3ADRB2TLR8
SCHEMBL22321569 0.80 KCNH2 (0.44) TRPV3ADRB2TLR8
SCHEMBL22337695 0.77 TRPV3 (0.52) TRPV3

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-3704093-A1 NOVEL AMINOPYRIDINEMETHANOL COMPOUNDS AND THEIR USE Université Amiens Picardie Jules Verne (FR) 2020-09-09 — — EP disclosed
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