SCHEMBL20141633

SCHEMBL20141633

CCOC(=O)C1(Cc2cc(Br)c(C)cc2C)CCN(c2ccccc2C#N)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.46
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
RET P07949 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL20156841 0.89 DRD4 (0.51) DRD4ALDH1A1LMNADRD3
SCHEMBL20139931 0.89 LMNA (0.43) DRD4ALDH1A1LMNAGAAPOLB
SCHEMBL20157436 0.88 ALDH1A1 (0.42) DRD4ALDH1A1LMNAGAAPOLB
SCHEMBL20157438 0.87 ALDH1A1 (0.41) DRD4ALDH1A1LMNAGAAPOLB
SCHEMBL20157437 0.86 MTOR (0.45) DRD4ALDH1A1LMNARAB9ANPC1
SCHEMBL20140742 0.81 DRD4 (0.44) DRD4ALDH1A1DRD3
SCHEMBL20139961 0.81 DRD4 (0.45) DRD4ALDH1A1DRD3
SCHEMBL20141996 0.80 DRD4 (0.46) DRD4ALDH1A1RETDRD3
SCHEMBL20141636 0.78 DRD4 (0.41) DRD4ALDH1A1DRD3
SCHEMBL20141994 0.78 DRD4 (0.44) DRD4ALDH1A1LMNADRD3

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed