SCHEMBL29265396

SCHEMBL29265396

C[CH]CN1CCCC(CCCCCC)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.47
CYP1A2 P05177 1/20 0.39
BCHE P06276 7/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.35
BACE1 P56817 1/20 0.34
GNAO1 P09471 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL22326400 0.83 LSS (0.51) LSSCYP1A2BCHEMEN1HTT
SCHEMBL28290737 0.82 BCHE (0.55) LSSBCHEBACE1GNAO1
SCHEMBL10646171 0.80 LSS (0.48) LSSCYP1A2BCHE
SCHEMBL25653931 0.80 BCHE (0.53) LSSCYP1A2BCHEBACE1GNAO1
Hydrochloric Acid SCHEMBL30330288 0.78 BCHE (0.54) LSSCYP1A2BCHEBACE1GNAO1
Hydrochloric Acid SCHEMBL30331122 0.78 BCHE (0.54) LSSCYP1A2BCHEBACE1GNAO1
SCHEMBL14394244 0.78 CYP1A2 (0.50) LSSCYP1A2BCHEBACE1
Fluoride SCHEMBL30330940 0.78 BCHE (0.54) LSSCYP1A2BCHEBACE1GNAO1
Hydrochloric Acid SCHEMBL30331079 0.78 BCHE (0.54) LSSCYP1A2BCHEBACE1GNAO1
Hydrochloric Acid SCHEMBL30330636 0.78 BCHE (0.54) LSSCYP1A2BCHEBACE1GNAO1

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-118354828-A Cyclic amine monoamides for extracting uranium (VI) and plutonium (IV) and for separating them without reduction of the plutonium (IV) 原子能与替代能源委员会 2024-07-16 CN claimed