SCHEMBL30711779

SCHEMBL30711779

CN(C)CCNCc1ccc2cc(C(F)(F)F)cc(N)c2n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.42
SCN9A Q15858 2/20 0.36
MAP4K4 O95819 2/20 0.36
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
NOS3 P29474 2/20 0.34
CCR2 P41597 4/20 0.33
BACE1 P56817 1/20 0.33
TACR1 P25103 1/20 0.33
SYK P43405 1/20 0.32

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
SCHEMBL20853400 1.00 TERT (0.42) TERTSCN9AMAP4K4NOS1NOS2
SCHEMBL20838525 0.89 TERT (0.36) TERTSCN9AMAP4K4NOS1NOS2
SCHEMBL20838516 0.85 TERT (0.46) TERTMAP4K4NOS1NOS2NOS3
SCHEMBL20853405 0.81 TERT (0.45) TERTMAP4K4
SCHEMBL30711798 0.81 TERT (0.45) TERTMAP4K4
SCHEMBL20838475 0.80 MOK (0.39) TERTSCN9ACCR2TACR1
SCHEMBL20853238 0.72 TERT (0.40) TERTMAP4K4
SCHEMBL20853404 0.71 TERT (0.41) TERTMAP4K4
SCHEMBL30711805 0.71 TERT (0.41) TERTMAP4K4
SCHEMBL16268944 0.69 TERT (0.47) TERTSCN9A

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
EP-3466931-B1 TETRADENTATE CHELATING MONOQUINOLINE DERIVATIVE, MANUFACTURING METHOD THEREOF, AND APPLICATION OF SAME AS METAL ION REGULATOR FOR NEURODEGENERATIVE DISEASE UNIV GUANGDONG TECHNOLOGY (CN) 2024-01-10 EP disclosed