SCHEMBL9799570

SCHEMBL9799570

CC(CCC(O[N+](=O)[O-])C(=O)NC1CCNCC1)(O[N+](=O)[O-])C(=O)NC1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.37
SSTR4 P31391 1/20 0.37
EPHX1 P07099 3/20 0.33
SIGMAR1 Q99720 1/20 0.31
POLB P06746 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 1/20 0.30

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
SCHEMBL9799578 0.76 EPHX1 (0.35) SSTR1SSTR4EPHX1POLBSMYD3
SCHEMBL9330440 0.74 EPHX1 (0.44) SSTR1SSTR4EPHX1POLBSMYD3
SCHEMBL9333374 0.72 EPHX1 (0.44) EPHX1SIGMAR1POLBSMYD3GNAI3
SCHEMBL9329974 0.71 SSTR4 (0.52) SSTR1SSTR4EPHX1POLBGNAI3
SCHEMBL12334726 0.64 EPHX1 (0.52) SSTR1SSTR4EPHX1POLBSMYD3
SCHEMBL12308373 0.64 SSTR4 (0.48) SSTR1SSTR4EPHX1POLBSMYD3
SCHEMBL6697632 0.63 EPHX1 (0.59) SSTR1SSTR4EPHX1POLBSMYD3
SCHEMBL15447615 0.62 EPHX1 (0.57) SSTR1SSTR4EPHX1SIGMAR1POLB
SCHEMBL29317763 0.61 EPHX1 (0.47) SSTR1SSTR4EPHX1POLBSMYD3
SCHEMBL28212502 0.61 EPHX1 (0.40) SSTR1SSTR4EPHX1SIGMAR1POLB

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-5030641-A Treatment of angina pectoris, hypotensive agents BOEHRINGER MANNHEIM GMBH (DE) 1991-07-09 US disclosed