SCHEMBL8921375

SCHEMBL8921375

N=C(NC1C2CC3CC(C2)CC1C3)N(N)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.44
SIGMAR1 Q99720 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HSD11B1 P28845 4/20 0.37
NPC1 O15118 1/20 0.35
EPHX1 P07099 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9115097 0.71 EPHX2 (0.54) EPHX2SIGMAR1L3MBTL1HSD17B10HSD11B1
SCHEMBL6154505 0.71 EPHX2 (0.58) EPHX2SIGMAR1L3MBTL1HSD17B10HSD11B1
Hydrochloric Acid SCHEMBL9115349 0.70 SIGMAR1 (0.55) EPHX2SIGMAR1L3MBTL1HSD17B10HSD11B1
SCHEMBL1744181 0.68 L3MBTL1 (0.41) EPHX2L3MBTL1HSD17B10HSD11B1EPHX1
SCHEMBL7401099 0.66 HSD11B1 (0.40) EPHX2L3MBTL1HSD17B10HSD11B1
SCHEMBL27125763 0.65 SIGMAR1 (0.47) EPHX2SIGMAR1L3MBTL1HSD17B10HSD11B1
SCHEMBL28128832 0.65 L3MBTL1 (0.33) EPHX2L3MBTL1HSD17B10HSD11B1NPC1
SCHEMBL10139230 0.64 EPHX2 (0.50) EPHX2SIGMAR1L3MBTL1HSD17B10HSD11B1
SCHEMBL8843100 0.63 CYP2C9 (0.36) SIGMAR1
SCHEMBL3114854 0.63 L3MBTL1 (0.57) EPHX2SIGMAR1L3MBTL1HSD17B10HSD11B1

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
US-5681861-A BLOCKING VOLTAGE SENSITIVE SODIUM AND CALCIUM CHANNELS IN MAMMALIAN NERVE CELLS CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-10-28 US disclosed