SCHEMBL21291702

SCHEMBL21291702

O=[C]NC1CCNCCNCCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.44
POLB P06746 1/20 0.40
KCNH2 Q12809 1/20 0.32
GABRA1 P14867 2/20 0.32
TSHR P16473 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
PMP22 Q01453 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32

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
SCHEMBL1307151 0.97
SCHEMBL1781772 0.83
SCHEMBL4296136 0.83
SCHEMBL4293754 0.83
SCHEMBL24679 0.78
SCHEMBL27619812 0.75 EPHX1 (0.31) EPHX1
SCHEMBL26241 0.73
SCHEMBL115508 0.73
SCHEMBL6072128 0.72
SCHEMBL2109467 0.70 ALDH1A1 (0.45) EPHX1EPHX2CYP3A4MAPT

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-3068799-B1 CAMELID SINGLE-DOMAIN ANTIBODY DIRECTED AGAINST AMYLOID BÊTA AND METHODS FOR PRODUCING CONJUGATES THEREOF HOFFMANN LA ROCHE (CH) 2019-08-28 EP claimed