SCHEMBL7297441

SCHEMBL7297441

O=[C]CCCCC1CNCCN1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.40
PARP1 P09874 1/20 0.31

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
SCHEMBL5542003 0.98 CXCR4 (0.39) CXCR4PARP1
SCHEMBL5548330 0.94 CXCR4 (0.41) CXCR4PARP1
SCHEMBL5539780 0.86 CXCR4 (0.36) CXCR4PARP1
SCHEMBL5662356 0.79 CXCR4 (0.42) CXCR4PARP1
SCHEMBL5242271 0.76 CXCR4 (0.44) CXCR4PARP1
SCHEMBL5542970 0.76 CXCR4 (0.36) CXCR4
SCHEMBL5543306 0.76 CXCR4 (0.36) CXCR4
SCHEMBL272712 0.75 CXCR4 (0.38) CXCR4PARP1
SCHEMBL6209032 0.75 CXCR4 (0.42) CXCR4PARP1
SCHEMBL21010237 0.75 CXCR4 (0.42) CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1036394-C Process for preparing quinolone derivatives OTSUKA PHARMA CO LTD (JP) 1997-11-12 CN disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed