SCHEMBL6444467

SCHEMBL6444467

Cc1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 10/20 0.52
▸ DRD2 P14416 6/20 0.52
▸ POLB P06746 1/20 0.52
▸ GFER P55789 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.47
▸ DRD4 P21917 1/20 0.46

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
SCHEMBL14450789 0.80 HPGD (0.47) POLB
SCHEMBL14199914 0.80 HPGD (0.47) POLB
SCHEMBL14199912 0.80 HPGD (0.46) POLB
SCHEMBL12253976 0.78 SIGMAR1 (0.45) POLB
SCHEMBL12253970 0.76 PTPN1 (0.47) —
SCHEMBL14199911 0.74 MEN1 (0.43) POLB
SCHEMBL12253971 0.72 ALDH1A1 (0.46) POLB
SCHEMBL14199913 0.72 MEN1 (0.53) —
SCHEMBL12779412 0.70 SENP5 (0.49) —
SCHEMBL14199904 0.70 MEN1 (0.52) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349847-B1 OXYBENZAMIDES DERIVATIVES AS FACTOR XA INHIBITORS AVENTIS PHARMA GMBH (DE) 2005-04-20 — — EP claimed
EP-1539682-A2 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES USEFUL FOR THE SYNTHESIS OF TUBULIN INHIBITORS Wyeth Holdings Corporation (US) 2005-06-15 — — EP disclosed
EP-1349847-B1 OXYBENZAMIDES DERIVATIVES AS FACTOR XA INHIBITORS AVENTIS PHARMA GMBH (DE) 2005-04-20 — — EP disclosed
WO-2004026814-A2 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES USEFUL FOR THE SYNTHESIS OF TUBULIN INHIBITORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 — — WO disclosed
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