SCHEMBL14023935

SCHEMBL14023935

N[C@H](CF)Cc1ccc(CN2CCOCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NOS3 P29474 1/20 0.48
▸ NOS1 P29475 1/20 0.48
▸ NOS2 P35228 1/20 0.48
▸ HIF1A Q16665 2/20 0.47
▸ EPAS1 Q99814 2/20 0.47
▸ KCNJ1 P48048 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ NCF1 P14598 1/20 0.45
▸ AOC3 Q16853 1/20 0.45
▸ HPGD P15428 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL14025104 0.83 ACACB (0.43) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL15467001 0.79 HRH3 (0.87) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL7555443 0.77 HRH3 (0.56) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL7555448 0.77 HRH3 (0.56) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL10159880 0.77 HRH3 (0.65) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL10085217 0.74 HRH3 (0.71) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL113089 0.74 NCF1 (0.74) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL60797 0.74 HRH3 (0.71) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL18805034 0.74 HRH3 (0.71) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL13267163 0.74 HRH3 (0.71) HRH3SMN1; SMN2NOS3NOS1NOS2

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
WO-2008143729-A2 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-11-27 — — WO disclosed
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