SCHEMBL9874050

SCHEMBL9874050

CN1CCN(C(=O)c2nnc(-c3ccccc3)cc2-c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.52
MAPT P10636 3/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
MET P08581 1/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HRH4 Q9H3N8 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL9601452 0.82 PDE4D (0.52) PDE4DMAPTMAPK1NPC1RAB9A
SCHEMBL9879664 0.79 ALDH1A1 (0.49) PDE4DMAPTNPC1RAB9AALDH1A1
SCHEMBL9602893 0.78 MAPT (0.49) MAPTMAPK1NPC1RAB9ANPSR1
SCHEMBL15256980 0.77 POLB (0.52) MAPTNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL9872592 0.77 PDE4D (0.56) PDE4DMAPTMAPK1NPC1RAB9A
SCHEMBL16150677 0.77 TSHR (0.53) PDE4DMAPTMAPK1ALDH1A1LMNA
SCHEMBL16150676 0.77 TSHR (0.53) PDE4DMAPTMAPK1ALDH1A1LMNA
SCHEMBL9873380 0.75 MAPT (0.57) PDE4DMAPTMAPK1NPC1RAB9A
SCHEMBL10613599 0.73 PDE4D (0.57) PDE4DMAPTMAPK1NPC1RAB9A
SCHEMBL9875028 0.73 LMNA (0.54) MAPTMAPK1ALDH1A1LMNASMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4931453-A CARDIOVASCULAR, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-06-05 US claimed
US-4990507-A Cardiotonic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-05 US disclosed
EP-0228845-B1 N-CONTAINING HETEROCYCLIC COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 EP disclosed
US-4931453-A CARDIOVASCULAR, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-06-05 US disclosed
US-4857527-A HYPOTENSIVE, ANTISCHEMIC AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US disclosed
US-4831030-A FOR CEREBROVASCULAR DISEASES; HYPERTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0228845-A2 N-containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-07-15 EP disclosed