SCHEMBL30511547

SCHEMBL30511547

CC(C)CCNC(=O)c1ccccc1Nc1ccc(C(=O)N=C2NCCCN2)cc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ KCNA5 P22460 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ADRA1D P25100 2/20 0.34
▸ ADRA1A P35348 2/20 0.34
▸ ADRA1B P35368 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ F3 P13726 1/20 0.33
▸ PKM P14618 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL21616999 1.00 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9AKMT2AKCNA5
SCHEMBL29486220 0.97 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AKMT2AKCNA5
SCHEMBL22899612 0.97 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AKMT2AKCNA5
SCHEMBL21617010 0.94 GPR52 (0.33) SMN1; SMN2NPC1RAB9AKMT2AKCNA5
SCHEMBL22899346 0.90 GPR52 (0.36) SMN1; SMN2NPC1RAB9AKMT2AKCNA5
SCHEMBL29486081 0.90 GPR52 (0.36) SMN1; SMN2NPC1RAB9AKMT2AKCNA5
SCHEMBL29486137 0.89 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9AKMT2AKCNA5
SCHEMBL22899343 0.89 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9AKMT2AKCNA5
SCHEMBL22899408 0.88 HPGD (0.35) SMN1; SMN2NPC1RAB9AKCNA5HPGD
SCHEMBL29486075 0.88 HPGD (0.35) SMN1; SMN2NPC1RAB9AKCNA5HPGD

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-3820849-B1 PHENYL/PYRIDYL-NH-PHENYL/PYRIDYL DERIVATIVES FOR TREATING RNA VIRUS INFECTION ABIVAX (FR) 2023-09-06 — — EP disclosed
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