SCHEMBL4465905

SCHEMBL4465905

O=C(Nc1nnc(-c2ccc(Br)cc2)s1)N[C@H]1[C@@H]2CN(c3ncccc3C(F)(F)F)C[C@@H]21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.44
▸ BLM P54132 5/20 0.42
▸ HPN P05981 1/20 0.40
▸ WRN Q14191 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ MAPK8 P45983 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 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
SCHEMBL4458089 1.00 TRPV1 (0.44) TRPV1BLMHPNWRNGAA
SCHEMBL4458084 1.00 TRPV1 (0.44) TRPV1BLMHPNWRNGAA
SCHEMBL4461106 0.83 TSHR (0.47) TRPV1GAA
SCHEMBL4461101 0.83 TSHR (0.47) TRPV1GAA
SCHEMBL4327380 0.75 TRPV1 (0.73) TRPV1
SCHEMBL4327376 0.75 TRPV1 (0.73) TRPV1
SCHEMBL13783793 0.73 TRPV1 (0.52) TRPV1GAAHCRTR1HCRTR2
SCHEMBL4319487 0.70 TRPV1 (0.53) TRPV1GAA
SCHEMBL4319481 0.70 TRPV1 (0.53) TRPV1GAA
SCHEMBL4320157 0.65 EPHX2 (0.56) TRPV1GAA

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
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 — — WO claimed
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