SCHEMBL9115097

SCHEMBL9115097

N=C(N)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.54
SIGMAR1 Q99720 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.47
HSD17B10 Q99714 1/20 0.47
HSD11B1 P28845 3/20 0.44
NPC1 O15118 1/20 0.41
EPHX1 P07099 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
Hydrochloric Acid SCHEMBL9115349 0.98 SIGMAR1 (0.55) EPHX2SIGMAR1L3MBTL1HSD17B10HSD11B1
SCHEMBL27125763 0.83 SIGMAR1 (0.47) EPHX2SIGMAR1L3MBTL1HSD17B10HSD11B1
SCHEMBL6154505 0.80 EPHX2 (0.58) EPHX2SIGMAR1L3MBTL1HSD17B10HSD11B1
SCHEMBL3114854 0.76 L3MBTL1 (0.57) EPHX2SIGMAR1L3MBTL1HSD17B10HSD11B1
SCHEMBL3073632 0.76 EPHX2 (0.67) EPHX2SIGMAR1L3MBTL1HSD17B10HSD11B1
SCHEMBL12837664 0.74 EPHX2 (0.34) EPHX2SIGMAR1HSD11B1
SCHEMBL15080861 0.74
SCHEMBL10139230 0.73 EPHX2 (0.50) EPHX2SIGMAR1L3MBTL1HSD17B10HSD11B1
SCHEMBL8921375 0.71 EPHX2 (0.44) EPHX2SIGMAR1L3MBTL1HSD17B10HSD11B1
SCHEMBL3069074 0.71 EPHX2 (0.72) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584088-A4 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS. CAMBRIDGE NEUROSCIENCE RES (US) 1995-01-18 EP claimed
EP-0584088-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE RESEARCH, INC. (US) 1994-03-02 EP claimed
WO-1992014697-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1992-09-03 WO claimed
CN-101263256-B Amphoteric stilbene composition HEWLETT PACKARD DEVELOPMENT CO 2011-07-06 CN disclosed
CN-101263256-A Amphoteric stilbene composition HEWLETT PACKARD DEVELOPMENT CO (US) 2008-09-10 CN disclosed