SCHEMBL13745657

SCHEMBL13745657

CN1CCC(C(=O)NC23CC4CCCC(C2)C(C4)C3)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.36
EPHX1 P07099 6/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL14340973 0.75 EPHX2 (0.40) EPHX2ALDH1A1EPHX1MEN1KMT2A
SCHEMBL14413585 0.72 EPHX2 (0.46) EPHX2ALDH1A1LMNAMEN1KMT2A
SCHEMBL4516091 0.70 EPHX2 (0.67) EPHX2ALDH1A1TSHREPHX1LMNA
SCHEMBL3920461 0.70 EPHX2 (0.55) EPHX2ALDH1A1TSHREPHX1MEN1
SCHEMBL13768759 0.70 EPHX2 (0.57) EPHX2EPHX1
SCHEMBL13768777 0.69 EPHX2 (0.56) EPHX2EPHX1
SCHEMBL2638872 0.69 EPHX2 (0.57) EPHX2ALDH1A1TSHREPHX1MEN1
SCHEMBL8025935 0.69 GRIN2D (0.52)
SCHEMBL10138566 0.69 EPHX2 (0.44) EPHX2EPHX1
SCHEMBL13768396 0.69 EPHX2 (0.74) EPHX2EPHX1

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-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 WO disclosed