SCHEMBL7695219

SCHEMBL7695219

O=S(=O)(O)CCCC1(c2ccccc2)CN1CCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
HTR2A P28223 2/20 0.36
KCNH2 Q12809 2/20 0.36
HTR2C P28335 1/20 0.36
GRM2 Q14416 1/20 0.36
LMNA P02545 2/20 0.35
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
GFER P55789 1/20 0.33
PMP22 Q01453 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
SCHEMBL249113 0.70 CA2 (0.56) SIGMAR1LMNAMEN1KMT2AKDM4E
SCHEMBL293286 0.69 MEN1 (0.53) SIGMAR1LMNAMEN1KMT2AKDM4E
SCHEMBL9809202 0.67 MAPT (0.55) SIGMAR1MEN1KMT2AMAPT
SCHEMBL2317361 0.67 MAPT (0.55) SIGMAR1MEN1KMT2AMAPT
SCHEMBL3139639 0.67 MAPT (0.55) SIGMAR1MEN1KMT2AMAPT
SCHEMBL3139656 0.67 MAPT (0.55) SIGMAR1MEN1KMT2AMAPT
SCHEMBL3127163 0.67 MAPT (0.55) SIGMAR1MEN1KMT2AMAPT
SCHEMBL3141008 0.67 MAPT (0.55) SIGMAR1MEN1KMT2AMAPT
SCHEMBL6117904 0.67 MAPT (0.55) SIGMAR1MEN1KMT2AMAPT
SCHEMBL14399650 0.67 MAPT (0.55) SIGMAR1MEN1KMT2AMAPT

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
WO-2002012184-A1 PROCESS FOR PREPARING ALPHA-AMINO ACIDS AND THEIR DERIVATIVES INCLUDING PHENYLALANINE AND HOMOPHENYLALANINE AND THEIR INTERMEDIATES CHEMBIONEX CO., LTD. (KR) 2002-02-14 WO disclosed