SCHEMBL19787822

SCHEMBL19787822

CC(C)CCC(C)OC(=O)CN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
LMNA P02545 3/20 0.33
CA1 P00915 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP19A1 P11511 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
GABRR1 P24046 2/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 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
SCHEMBL3486034 0.83 FAAH (0.42) FAAHCNR1CNR2LMNACHRM2
SCHEMBL21023233 0.83 FAAH (0.42) FAAHCNR1CNR2LMNACHRM2
SCHEMBL19443244 0.83 FAAH (0.42) FAAHCNR1CNR2LMNACHRM2
SCHEMBL18636465 0.82 CYP19A1 (0.46) SLC1A3SLC1A2LMNACYP19A1CHRM2
SCHEMBL15811732 0.81 FAAH (0.34) FAAHCNR1CNR2LMNACHRM2
SCHEMBL18274711 0.79
SCHEMBL15427306 0.79 FAAH (0.51) FAAHCNR1CNR2LMNACA1
SCHEMBL9830791 0.78 FAAH (0.50) FAAHCNR1CNR2SLC1A3SLC1A2
SCHEMBL20750933 0.78 FAAH (0.39) FAAHCNR1CNR2LMNAKDM4E
SCHEMBL18823277 0.78 FAAH (0.33) FAAHCNR1CNR2

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-9872918-B2 Hydroxyl-polymer-drug-protein conjugates MERSANA THERAPEUTICS, INC. (US) 2018-01-23 US disclosed