SCHEMBL7769375

SCHEMBL7769375

CC(C)CC(NC(=O)OCC(F)(F)F)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
CAPN1 P07384 1/20 0.42
CNR1 P21554 1/20 0.40
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
ADRA1A P35348 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
REN P00797 2/20 0.38
HTT P42858 1/20 0.38
CTSK P43235 4/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
HPGDS O60760 2/20 0.36

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
SCHEMBL3805990 1.00 CNR2 (0.46) CNR2CAPN1CNR1TSHRLMNA
SCHEMBL7769372 0.84 CAPN1 (0.42) CAPN1HTTCTSKNOS3NOS1
SCHEMBL27904264 0.84 CAPN1 (0.42) CAPN1HTTCTSKNOS3NOS1
SCHEMBL7769348 0.84 TSHR (0.40) CNR2CAPN1TSHRLMNACYP3A4
SCHEMBL7766030 0.80 HTT (0.42) CNR2CAPN1TSHRLMNACYP3A4
SCHEMBL7883345 0.80 SMN1; SMN2 (0.45) CNR2CTSKCTSLCTSBCTSS
SCHEMBL7769892 0.80 PPID (0.42) CNR1CTSKHPGDSFOLH1
SCHEMBL3807501 0.80 HTT (0.42) CNR2CAPN1TSHRLMNACYP3A4
SCHEMBL7770030 0.79 KCNA5 (0.40) CNR2CTSKCTSLCTSBCTSS
SCHEMBL13604066 0.78 CAPN1 (0.39) CNR2CAPN1TSHRLMNACYP3A4

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 7 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-101405259-B Process for production of ethylenediamine derivative having halogenated carbamate group and acyl group, and intermediated for production of the derivative MITSU CHEMICALS INC 2013-06-19 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
CN-101405259-A Process for production of ethylenediamine derivative having halogenated carbamate group and acyl group, and intermediated for production of the derivative MITSUI CHEMICALS INC (JP) 2009-04-08 CN disclosed
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP disclosed