SCHEMBL22239778

SCHEMBL22239778

C=C(C)Nc1cc(CCCC)ccn1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.47
NR3C2 P08235 14/20 0.45
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RIOK2 Q9BVS4 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
SCHEMBL22240030 0.95 MME (0.44) MMENR3C2NPC1RAB9ASMN1; SMN2
SCHEMBL29078768 0.81 NR3C2 (0.50) MMENR3C2SMN1; SMN2
SCHEMBL22240064 0.80 NR3C2 (0.41) MMENR3C2
SCHEMBL11015263 0.78 MME (0.43) MMENR3C2NPC1RAB9A
SCHEMBL23015674 0.76 NR3C2 (0.55) NR3C2
SCHEMBL5746344 0.74 MME (0.41) MMENR3C2NPC1RAB9ASMN1; SMN2
SCHEMBL18469854 0.73 KDM4E (0.46) MMENR3C2SMN1; SMN2
SCHEMBL5746928 0.73 NR3C2 (0.43) MMENR3C2NPC1RAB9ASMN1; SMN2
SCHEMBL22240180 0.73 KDM4E (0.43) MMENR3C2
SCHEMBL18599035 0.72 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2

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
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 EP disclosed