SCHEMBL20159042

SCHEMBL20159042

Cc1c(C=O)cc(C(=O)N2CCN(c3ccccc3)C[C@@H]2C)n1CCCNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.42
CNR2 P34972 1/20 0.41
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
CHRM4 P08173 2/20 0.39
SIGMAR1 Q99720 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
CHRM2 P08172 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL20159040 0.82 MTOR (0.52) DRD2CHRM4LMNATP53MAPT
SCHEMBL20139783 0.78 SCD5 (0.44) CHRM4NPC1RAB9AMAPTCTSB
SCHEMBL20139784 0.78 SCD5 (0.44) CHRM4NPC1RAB9AMAPTCTSB
SCHEMBL20140557 0.78 SCD5 (0.44) CHRM4NPC1RAB9AMAPTCTSB
SCHEMBL20156992 0.70 GRM1 (0.40) DRD2CHRM4CHRM2KMT2A
SCHEMBL20140102 0.70 GRM1 (0.40) DRD2CHRM4CHRM2KMT2A
SCHEMBL20139330 0.69 FAAH (0.44) CHRM4NPC1RAB9ALMNATP53
SCHEMBL20139331 0.69 FAAH (0.44) CHRM4NPC1RAB9ALMNATP53
SCHEMBL20139199 0.68 FAAH (0.56)
SCHEMBL15819221 0.68 FAAH (0.56)

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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed