SCHEMBL27675556

SCHEMBL27675556

CCCN1CCCCC1O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
KCNK3 O14649 1/20 0.41
LMNA P02545 1/20 0.41
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
GAA P10253 1/20 0.36
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
HTR1A P08908 1/20 0.34

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
SCHEMBL4229106 0.88 GBA2 (0.46) GBA1LMNAS1PR1S1PR3S1PR5
SCHEMBL2850065 0.86 S1PR1 (0.47) GBA1S1PR1S1PR3S1PR5GAA
SCHEMBL3428819 0.84 S1PR1 (0.49) GBA1S1PR1S1PR3S1PR5GAA
SCHEMBL10590808 0.84 S1PR1 (0.49) GBA1S1PR1S1PR3S1PR5GAA
Methane SCHEMBL6600535 0.83 S1PR1 (0.48) GBA1S1PR1S1PR3S1PR5GAA
SCHEMBL6628245 0.82
SCHEMBL28123990 0.81 GBA2 (0.47) GBA1LMNAS1PR1S1PR3S1PR5
SCHEMBL18607993 0.80 HSD11B1 (0.36) GAA
SCHEMBL4034937 0.80 AGL (0.36) GBA1GAA
SCHEMBL3265496 0.79 S1PR1 (0.50) GBA1S1PR1S1PR3S1PR5GAA

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-86101899-A The manufacturing process of 2-chloro-1- pyridine-propane 1987-01-24 CN claimed