SCHEMBL19670307

SCHEMBL19670307

COc1cncc(NC(=O)N2c3nc(N4CCCC(C(F)(F)F)C4)ccc3N3CCCC32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 2/20 0.41
▸ AR P10275 1/20 0.38
▸ TRPV3 Q8NET8 1/20 0.38
▸ HTR2C P28335 6/20 0.36
▸ HTR2B P41595 6/20 0.36
▸ HTR2A P28223 5/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.33
▸ MAPT P10636 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
SCHEMBL17624600 1.00 SCN10A (0.41) SCN10AARTRPV3HTR2CHTR2B
SCHEMBL19670614 0.90 TRPV3 (0.39) SCN10AARTRPV3MAP4K4
SCHEMBL17624205 0.90 TRPV3 (0.39) SCN10AARTRPV3MAP4K4
SCHEMBL17624478 0.89 TRPV3 (0.40) SCN10ATRPV3MAP4K4NTRK1
SCHEMBL19670286 0.89 TRPV3 (0.40) SCN10ATRPV3MAP4K4NTRK1
SCHEMBL19364922 0.89 SCN10A (0.41) SCN10AARTRPV3HTR2CHTR2B
SCHEMBL19669729 0.85 TRPV1 (0.40) SCN10ATRPV3HTR2CHTR2AMAP4K4
SCHEMBL17624532 0.85 TRPV1 (0.40) SCN10ATRPV3HTR2CHTR2AMAP4K4
SCHEMBL17624599 0.85 TRPV3 (0.40) SCN10ATRPV3MAP4K4POLBKDM4E
SCHEMBL19670615 0.85 TRPV3 (0.40) SCN10ATRPV3MAP4K4POLBKDM4E

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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