SCHEMBL19670614

SCHEMBL19670614

Cc1cncc(NC(=O)N2c3nc(N4CCCC(C(F)(F)F)C4)ccc3N3CCCC32)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 1/20 0.39
▸ SCN10A Q9Y5Y9 2/20 0.39
▸ PRMT5 O14744 9/20 0.37
▸ WDR77 Q9BQA1 9/20 0.37
▸ AR P10275 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ EIF2AK4 Q9P2K8 1/20 0.35
▸ DGAT2 Q96PD7 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33

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
SCHEMBL17624205 1.00 TRPV3 (0.39) TRPV3SCN10APRMT5WDR77AR
SCHEMBL17624478 0.91 TRPV3 (0.40) TRPV3SCN10AMAP4K4EIF2AK4DGAT2
SCHEMBL19670286 0.91 TRPV3 (0.40) TRPV3SCN10AMAP4K4EIF2AK4DGAT2
SCHEMBL17624600 0.90 SCN10A (0.41) TRPV3SCN10AARMAP4K4
SCHEMBL19670307 0.90 SCN10A (0.41) TRPV3SCN10AARMAP4K4
SCHEMBL17624527 0.88 TRPV3 (0.40) TRPV3SCN10APRMT5WDR77AR
SCHEMBL19670191 0.88 TRPV3 (0.40) TRPV3SCN10APRMT5WDR77AR
SCHEMBL19364858 0.88 TRPV3 (0.40) TRPV3SCN10APRMT5WDR77AR
SCHEMBL17624470 0.87 SCN10A (0.41) TRPV3SCN10APRMT5WDR77AR
SCHEMBL19669729 0.87 TRPV1 (0.40) TRPV3SCN10AMAP4K4EIF2AK4

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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