SCHEMBL29201208

SCHEMBL29201208

CCCC1(c2ccccc2)CCC(C2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
DPP4 P27487 3/20 0.42
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
SIGMAR1 Q99720 3/20 0.37
LMNA P02545 2/20 0.36

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
SCHEMBL2089640 0.83 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3DPP4MAOA
SCHEMBL10607505 0.81 DPP4 (0.53) SLC6A4SLC6A2SLC6A3DPP4MAOA
SCHEMBL6021772 0.80 MAOA (0.56) SLC6A4SLC6A2SLC6A3DPP4MAOA
SCHEMBL10605448 0.78 KEAP1 (0.39)
SCHEMBL10605451 0.78 KEAP1 (0.39)
SCHEMBL30379107 0.75 SLC6A3 (0.46) SLC6A4SLC6A2SLC6A3
SCHEMBL13265659 0.73 ICMT (0.54) DPP4MAOAMAOBTAAR1LMNA
SCHEMBL21770897 0.73 TACR1 (0.53) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL15568275 0.73 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3DPP4
SCHEMBL10716246 0.72 CNR1 (0.38) SLC6A4MAOAMAOB

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
CN-116333755-A Liquid crystal compound and composition with high clearing point and low dielectric loss 西安近代化学研究所 2023-06-27 CN disclosed