SCHEMBL20156979

SCHEMBL20156979

C=C(NCC)c1cc(CC)c(C)cc1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 1/20 0.33
IDO1 P14902 2/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
HPGD P15428 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL17676462 0.80 LMNA (0.41) PGK1PGK2HPGD
SCHEMBL23798493 0.73 TAS1R3 (0.42) HPGD
SCHEMBL20133884 0.70 CYP1A2 (0.35)
SCHEMBL20157077 0.70 TP53 (0.37) PGK1PGK2HPGDNOS3NOS1
SCHEMBL18432740 0.69 NPSR1 (0.36) PGK1PGK2NOS3NOS1NOS2
SCHEMBL28076217 0.69 CYP3A4 (0.39) HPGD
SCHEMBL20231823 0.68 PGK1 (0.50) IDO1PGK1PGK2NOS3NOS1
SCHEMBL19120981 0.68 NTRK1 (0.39) HPGD
SCHEMBL20865394 0.68 MAOA (0.49) HPGD
SCHEMBL23222785 0.67 NR3C1 (0.38)

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