SCHEMBL19670357

SCHEMBL19670357

CCN1CC[C@@H](C)N(C(=O)Nc2ccncn2)c2nc(-c3cccc(Cl)c3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 1/20 0.41
▸ GRM5 P41594 9/20 0.39
▸ FAAH O00519 6/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ HSD11B1 P28845 1/20 0.34
▸ AVPR1B P47901 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34

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
SCHEMBL19670241 0.89 GRM5 (0.38) GRM5USP30
SCHEMBL19670263 0.89 DHFR (0.37) FAAH
SCHEMBL19670385 0.87 MPL (0.44) MPLFAAHUSP30
SCHEMBL12654526 0.85 MPL (0.42) MPLGRM5FAAHCNR2AVPR1B
SCHEMBL19670183 0.85 GRM5 (0.36) GRM5
SCHEMBL19670184 0.83 MDM2 (0.39) GRM5FAAHCNR2
SCHEMBL19865031 0.82 CNR2 (0.46) GRM5FAAHCNR2HSD11B1AVPR1B
SCHEMBL17618739 0.82 GRM5 (0.42) MPLGRM5FAAHCNR2USP30
SCHEMBL19670122 0.81 GRM5 (0.34) GRM5HSD11B1
SCHEMBL17618517 0.81 MPL (0.41) MPLGRM5FAAHCNR2USP30

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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