SCHEMBL27798489

SCHEMBL27798489

CCCCN1CC(CC)(CO)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLB1 P16278 1/20 0.39
GBA1 P04062 3/20 0.37
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
S1PR5 Q9H228 2/20 0.37
S1PR4 O95977 1/20 0.37
GUSB P08236 2/20 0.33
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
MGAM O43451 1/20 0.31

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
SCHEMBL24670563 0.78 KDM4E (0.37) GBA1
SCHEMBL19986855 0.75
SCHEMBL24744819 0.73 KDM4E (0.33)
SCHEMBL16939210 0.72
SCHEMBL11013490 0.72 ALDH1A1 (0.36) GLB1GBA1S1PR1S1PR3S1PR5
SCHEMBL25922429 0.72 DRD2 (0.30)
SCHEMBL18801000 0.72 LMNA (0.44) GBA1S1PR1S1PR3S1PR5S1PR4
SCHEMBL20921365 0.69 S1PR1 (0.47) GLB1S1PR1S1PR3S1PR5S1PR4
SCHEMBL18800954 0.69 LMNA (0.41) GBA1S1PR1S1PR3S1PR5S1PR4
SCHEMBL16508917 0.69 NOS3 (0.40) GLB1GBA1S1PR1S1PR3S1PR5

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-101679235-A Azetidine derivatives and their use as prostaglandin E2 antagonists PFIZER LTD 2010-03-24 CN disclosed