SCHEMBL19669729

SCHEMBL19669729

O=C(Nc1cccnc1)N1c2nc(N3CCCC(C(F)(F)F)C3)ccc2N2CCCC21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.40
▸ HTR2A P28223 6/20 0.39
▸ HTR2C P28335 6/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ TRPV3 Q8NET8 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAP4K4 O95819 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ EIF2AK4 Q9P2K8 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL17624532 1.00 TRPV1 (0.40) TRPV1HTR2AHTR2CNAMPTTRPV3
SCHEMBL17624599 0.90 TRPV3 (0.40) TRPV1NAMPTTRPV3MAPTMAP4K4
SCHEMBL19670615 0.90 TRPV3 (0.40) TRPV1NAMPTTRPV3MAPTMAP4K4
SCHEMBL17624478 0.88 TRPV3 (0.40) NAMPTTRPV3MAP4K4EIF2AK4SCN10A
SCHEMBL19670286 0.88 TRPV3 (0.40) NAMPTTRPV3MAP4K4EIF2AK4SCN10A
SCHEMBL16754312 0.88 TRPV1 (0.41) TRPV1HTR2AHTR2CNAMPTTRPV3
SCHEMBL16754618 0.88 TRPV1 (0.41) TRPV1HTR2AHTR2CNAMPTTRPV3
SCHEMBL19670296 0.88 TRPV1 (0.41) TRPV1HTR2AHTR2CNAMPTTRPV3
SCHEMBL19365684 0.88 TRPV1 (0.41) TRPV1HTR2AHTR2CNAMPTTRPV3
SCHEMBL17624205 0.87 TRPV3 (0.39) TRPV3MAP4K4EIF2AK4SCN10A

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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