SCHEMBL6226277

SCHEMBL6226277

O=C(c1ccc2cncnc2c1)N1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 15/20 0.60
▸ PRMT3 O60678 1/20 0.53
▸ GRIA3 P42263 1/20 0.52
▸ GRIA4 P48058 1/20 0.52
▸ POLB P06746 1/20 0.50
▸ AR P10275 1/20 0.49

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
SCHEMBL28030246 0.87 HPGD (0.62) HPGDGRIA3GRIA4AR
SCHEMBL6227279 0.86 HPGD (0.45) HPGDPRMT3
SCHEMBL12466410 0.77 EGFR (0.53) HPGD
SCHEMBL30533141 0.77 EGFR (0.53) HPGD
SCHEMBL23637039 0.76 VNN1 (0.52) POLB
SCHEMBL22622336 0.76 L3MBTL3 (0.70) HPGD
SCHEMBL20467429 0.76 HPGD (1.00) HPGD
SCHEMBL28850937 0.75 EGFR (0.51) PRMT3
SCHEMBL2051696 0.75 EGFR (0.56) AR
SCHEMBL1105475 0.75 EGFR (0.51) HPGDPRMT3AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583757-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-10-12 — — EP claimed
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 — — WO claimed
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