SCHEMBL20157017

SCHEMBL20157017

CCCCN(CCC)c1ccccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
AR P10275 1/20 0.35
CRHR1 P34998 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
SLC6A2 P23975 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL8746679 0.97 TSHR (0.42) TSHRAGTR1AGTR2HDAC6L3MBTL1
SCHEMBL20133582 0.93 TSHR (0.42) TSHRHDAC6ARCRHR1SMN1; SMN2
SCHEMBL8746684 0.90 HDAC6 (0.41) TSHRAGTR1AGTR2HDAC6L3MBTL1
SCHEMBL8773387 0.90 HDAC6 (0.41) TSHRAGTR1AGTR2HDAC6L3MBTL1
SCHEMBL21437153 0.79 TDP1 (0.39) TSHRALDH1A1HPGDNPSR1TDP1
SCHEMBL4932575 0.79 UTS2R (0.36) CRHR1MAPTHPGDNPSR1TDP1
SCHEMBL2560142 0.78 TSHR (0.45) TSHRHDAC6L3MBTL1MAPTALDH1A1
SCHEMBL7153352 0.78 TDP1 (0.44) CRHR1MAPTALDH1A1HPGDNPSR1
SCHEMBL11166907 0.78 HDAC6 (0.37) TSHRAGTR1AGTR2HDAC6L3MBTL1
SCHEMBL21208571 0.75 PKM (0.38) ARCRHR1NPSR1

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