SCHEMBL29201192

SCHEMBL29201192

CCc1cc(OCOc2cc(CC)c(N)c(CC)c2)cc(CC)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
PTPN1 P18031 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 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
SCHEMBL28919511 0.86 TSHR (0.46) HTTPOLBNOS3NOS1NOS2
SCHEMBL832729 0.81 HTT (0.48) HTTPOLBNOS3NOS1NOS2
SCHEMBL10522397 0.79 POLB (0.47) HTTPOLBALDH1A1MAPTTDP1
SCHEMBL11561474 0.75 MAOB (0.53) MAPTL3MBTL1LMNA
SCHEMBL13949333 0.74 HTT (0.42) HTTPOLBNOS3NOS1NOS2
SCHEMBL2186186 0.72 HTT (0.54) HTTPOLBNOS3NOS1NOS2
SCHEMBL33574 0.72 HTT (0.54) HTTPOLBNOS3NOS1NOS2
Hydrochloric Acid SCHEMBL9751581 0.70 HTT (0.52) HTTPOLBNOS3NOS1NOS2
Hydrochloric Acid SCHEMBL6742521 0.70 HTT (0.52) HTTPOLBNOS3NOS1NOS2
SCHEMBL112571 0.70 HTT (0.52) HTTPOLBNOS3NOS1NOS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118020019-A Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element 日产化学株式会社 2024-05-10 CN disclosed
CN-117624596-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element and manufacturing method thereof 日产化学株式会社 2024-03-01 CN disclosed
CN-117396803-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element, diamine, and polymer 日产化学株式会社 2024-01-12 CN disclosed