SCHEMBL8157683

SCHEMBL8157683

O=C(OCc1ccccc1)N1CCC[C@@H](O)[C@H]1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.53
ACE2 Q9BYF1 2/20 0.51
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CTRB1 P17538 1/20 0.50
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
KDM1A O60341 1/20 0.49
RCOR1 Q9UKL0 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL9295296 0.86 KDM1A (0.56) PREPACE2NPC1RAB9ASMN1; SMN2
SCHEMBL9295289 0.86 KDM1A (0.56) PREPACE2NPC1RAB9ASMN1; SMN2
SCHEMBL9295294 0.86 KDM1A (0.56) PREPACE2NPC1RAB9ASMN1; SMN2
SCHEMBL27766855 0.85 PREP (0.56) PREPACE2HSD17B10NPC1RAB9A
SCHEMBL27495021 0.84 PREP (0.50) PREPACE2NPC1RAB9ASMN1; SMN2
SCHEMBL3011829 0.83 PREP (0.56) PREPACE2HSD17B10NPC1RAB9A
SCHEMBL10310512 0.83 PREP (0.56) PREPACE2HSD17B10NPC1RAB9A
SCHEMBL1875019 0.83 PREP (0.54) PREPACE2HSD17B10NPC1RAB9A
SCHEMBL16857371 0.83 SMN1; SMN2 (0.54) PREPACE2HSD17B10NPC1RAB9A
SCHEMBL9200215 0.82 RAB9A (0.55) PREPACE2RAB9ATSHR

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-6071927-A Spiro-piperidine derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2000-06-06 US disclosed