SCHEMBL20157447

SCHEMBL20157447

C[C@H]1CN(c2ccc3[nH]ccc3c2)CCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
KHK P50053 2/20 0.44
KCNH2 Q12809 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HTR7 P34969 3/20 0.40
BCL2A1 Q16548 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL20157184 0.90 MAPT (0.46) MAPTKHKHTR7BCL2A1HRH4
Trifluoroacetic Acid SCHEMBL20139838 0.88 TRPV1 (0.41) MAPTKHKSLC6A2SLC6A4SLC6A3
SCHEMBL1537900 0.79 HTR3E (0.57) SLC6A2SLC6A4SLC6A3HTR7
SCHEMBL6840540 0.77 KCNH2 (0.46) KCNH2SLC6A2SLC6A4SLC6A3HTR7
SCHEMBL4588673 0.77 MAPT (0.47) MAPTKHKBCL2A1HRH4
SCHEMBL4588676 0.77 MAPT (0.47) MAPTKHKBCL2A1HRH4
SCHEMBL6811911 0.75 MAPT (0.46) MAPTKHKKCNH2SLC6A2SLC6A4
SCHEMBL3340549 0.75 LTA4H (0.48) MAPTSLC6A2SLC6A4SLC6A3HTR7
SCHEMBL2249343 0.74 HTR1A (0.63) MAPTKHKBCL2A1TLR9TLR8
SCHEMBL949366 0.74 HTR3A (0.56) MAPTHTR7

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