SCHEMBL27922142

SCHEMBL27922142

O=C(Cl)[C@@H]1CCCN1C(=O)OCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.44
▸ HCRTR2 O43614 4/20 0.37
▸ PEPD P12955 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PREP P48147 3/20 0.34
▸ HTT P42858 2/20 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
SCHEMBL10595318 0.88 RAB9A (0.47) RAB9ASMN1; SMN2ALDH1A1HSD17B10PREP
SCHEMBL10595315 0.88 RAB9A (0.47) RAB9ASMN1; SMN2ALDH1A1HSD17B10PREP
SCHEMBL27904262 0.86 RAB9A (0.60) RAB9APEPDSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL3813322 0.85 RAB9A (0.44) RAB9AHCRTR2PEPDSMN1; SMN2ALDH1A1
SCHEMBL7948659 0.81 RAB9A (0.53) RAB9ASMN1; SMN2ALDH1A1PREP
SCHEMBL3065176 0.81 RAB9A (0.53) RAB9ASMN1; SMN2ALDH1A1PREP
SCHEMBL7946008 0.81 RAB9A (0.53) RAB9ASMN1; SMN2ALDH1A1PREP
SCHEMBL3181242 0.76 ACE (0.41) PEPDPREP
SCHEMBL3181235 0.76 ACE (0.41) PEPDPREP
SCHEMBL13604100 0.76 RAB9A (0.38) RAB9AHCRTR2PEPDPREPHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103124722-B Method for producing amino acid amide derivative having fluorine-containing carbamate group, production intermediate thereof, and method for producing ethylene diamine derivative MITSUI CHEMICALS AGRO INC 2014-11-12 — — CN disclosed
CN-103124722-A Method for producing amino acid amide derivative having fluorine-containing carbamate group, production intermediate thereof, and method for producing ethylene diamine derivative MITSUI CHEMICALS AGRO INC 2013-05-29 — — CN disclosed
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