SCHEMBL9854591

SCHEMBL9854591

CCCCCCN1CCOCC1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
GBA2 Q9HCG7 11/20 0.37
GBA1 P04062 8/20 0.37
GAA P10253 2/20 0.37
UGCG Q16739 1/20 0.37
GUSB P08236 2/20 0.36
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 1/20 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
SCHEMBL6833198 0.81 EBP (0.41) GBA2GBA1GAAUGCGGUSB
SCHEMBL27946481 0.81 EBP (0.41) GBA2GBA1GAAUGCGGUSB
SCHEMBL11794034 0.79 GNAI3 (0.42) GNAI3GNAO1GNAI1GBA2GBA1
SCHEMBL15113720 0.77
SCHEMBL27928934 0.73 BCHE (0.43) GBA2GBA1GAAUGCG
SCHEMBL11929530 0.73 HRH3 (0.37) GBA2GBA1GAAUGCGSIGMAR1
SCHEMBL22282207 0.73 HRH3 (0.37) GBA2GBA1GAAUGCGSIGMAR1
SCHEMBL21375222 0.73 HRH3 (0.37) GBA2GBA1GAAUGCGSIGMAR1
SCHEMBL30481604 0.71 PDK1 (0.36) GBA2GBA1GAAUGCGSIGMAR1
SCHEMBL7026663 0.70 S1PR1 (0.36) GBA2GBA1GAAUGCG

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
EP-0415264-A2 Process for the preparation of perfluorinated heterocyclic compounds and compounds prepared by this process Kali-Chemie Aktiengesellschaft (DE) 1991-03-06 EP disclosed