SCHEMBL19670296

SCHEMBL19670296

O=C(Nc1cccnc1)N1c2nc(N3CCCC(C(F)(F)F)C3)ccc2N2CCCC1C2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTR2C P28335 7/20 0.40
▸ HTR2A P28223 6/20 0.40
▸ MAP4K4 O95819 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ TRPV3 Q8NET8 1/20 0.39
▸ BTK Q06187 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ EIF2AK4 Q9P2K8 1/20 0.37
▸ 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
SCHEMBL16754312 1.00 TRPV1 (0.41) TRPV1ALDH1A1MAPTHTR2CHTR2A
SCHEMBL19365684 1.00 TRPV1 (0.41) TRPV1ALDH1A1MAPTHTR2CHTR2A
SCHEMBL16754618 1.00 TRPV1 (0.41) TRPV1ALDH1A1MAPTHTR2CHTR2A
SCHEMBL17624589 0.97 TRPV1 (0.40) TRPV1ALDH1A1MAPTHTR2CHTR2A
SCHEMBL20733297 0.91 MAP4K4 (0.42) MAPTMAP4K4NAMPTTRPV3BTK
SCHEMBL17624239 0.90 MAP4K4 (0.41) TRPV1MAPTMAP4K4NAMPTTRPV3
SCHEMBL19365686 0.90 MAP4K4 (0.41) TRPV1MAPTMAP4K4NAMPTTRPV3
SCHEMBL16238392 0.89 TRPV1 (0.42) TRPV1MAPTHTR2CHTR2ANAMPT
SCHEMBL16776498 0.88 ALDH1A1 (0.41) TRPV1ALDH1A1MAPTHTR2CHTR2A
SCHEMBL19669729 0.88 TRPV1 (0.40) TRPV1ALDH1A1MAPTHTR2CHTR2A

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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