SCHEMBL20411368

SCHEMBL20411368

CCCCOC1(C)CCN(C)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
ADAM17 P78536 1/20 0.35
TP53 P04637 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SCN1A P35498 2/20 0.33
SCN2A Q99250 2/20 0.33
SCN3A Q9NY46 2/20 0.33
GAA P10253 1/20 0.32
CHRM1 P11229 2/20 0.31
MAPK1 P28482 2/20 0.31
HTR2A P28223 2/20 0.31
LTA4H P09960 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL22421763 0.92 NPC1 (0.39) TP53NPC1HPGDRAB9ASCN1A
SCHEMBL8170421 0.88 SCN1A (0.39) SCN1ASCN2ASCN3ACHRM2
SCHEMBL12464286 0.79 SCN1A (0.37) SCN1ASCN2ASCN3ACHRM2KCNH2
SCHEMBL14017964 0.79 MEN1 (0.35) ALDH1A1
SCHEMBL4489686 0.77 MEN1 (0.34)
SCHEMBL25003008 0.74 CARM1 (0.33) SCN1ASCN2ASCN3A
SCHEMBL3015884 0.73 CYP3A4 (0.32) GNAI3GNAO1GNAI1
SCHEMBL3843792 0.73 LTA4H (0.33) LTA4H
SCHEMBL18617621 0.72 SMN1; SMN2 (0.34) HPGD
SCHEMBL4488798 0.71 NR5A1 (0.31) ALDH1A1THRB

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-2018134695-A1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS PFIZER INC. (US) 2018-07-26 WO disclosed