SCHEMBL20140327

SCHEMBL20140327

Cc1[nH]c(C(=O)N2CCN(c3ccccc3)C[C@@H]2C)cc1C=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.44
FAAH O00519 3/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
KRAS P01116 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
CHRM4 P08173 1/20 0.40
AGTR2 P50052 1/20 0.40
SMO Q99835 4/20 0.39
TACR3 P29371 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL20140329 1.00 SCD5 (0.44) SCD5FAAHNPC1RAB9AKRAS
SCHEMBL20140557 0.80 SCD5 (0.44) SCD5FAAHNPC1RAB9AKRAS
SCHEMBL20139784 0.80 SCD5 (0.44) SCD5FAAHNPC1RAB9AKRAS
SCHEMBL20139783 0.80 SCD5 (0.44) SCD5FAAHNPC1RAB9AKRAS
SCHEMBL27606539 0.73 FAAH (0.54) SCD5FAAHNPC1RAB9AKMT2A
SCHEMBL20139213 0.73 FAAH (0.54) SCD5FAAHNPC1RAB9AKMT2A
SCHEMBL17324998 0.72 FAAH (0.53) SCD5FAAHNPC1RAB9AKMT2A
SCHEMBL26870516 0.72 FAAH (0.53) SCD5FAAHNPC1RAB9AKMT2A
SCHEMBL20139331 0.70 FAAH (0.44) FAAHNPC1RAB9AKMT2ACHRM4
SCHEMBL20139330 0.70 FAAH (0.44) FAAHNPC1RAB9AKMT2ACHRM4

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