SCHEMBL19365694

SCHEMBL19365694

CCN1CCCN(C(=O)Nc2cccc(CN3CCNCC3)c2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 5/20 0.45
▸ FAAH O00519 2/20 0.43
▸ CNR2 P34972 2/20 0.41
▸ UBE2M P61081 3/20 0.41
▸ DCUN1D1 Q96GG9 3/20 0.41
▸ ACKR3 P25106 4/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ TNNI3K Q59H18 1/20 0.39

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
SCHEMBL19365749 0.84 CA2 (0.42) CHRM3MEN1MAPTKMT2ABRAF
SCHEMBL19670249 0.83 CA2 (0.42) CHRM3FAAHBRAF
SCHEMBL17623988 0.83 NPC1 (0.37) CHRM3UBE2MDCUN1D1MEN1MAPT
SCHEMBL19364921 0.82 KIF18A (0.38) CHRM3UBE2MDCUN1D1MEN1MAPT
SCHEMBL19365407 0.81 MEN1 (0.49) MEN1KMT2A
SCHEMBL19670123 0.81 TRPA1 (0.37) CHRM3CNR2TRPV4MAPTBRAF
SCHEMBL19670572 0.81 LMNA (0.35) MAPTKMT2A
SCHEMBL19365805 0.81 BRAF (0.41) MEN1MAPTKMT2ABRAFMAPK14
SCHEMBL19865068 0.80 CHRM3 (0.46) CHRM3FAAHCNR2UBE2MDCUN1D1
SCHEMBL19365573 0.79 CA2 (0.39) CHRM3TRPV4MAPTBRAF

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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