SCHEMBL6980914

SCHEMBL6980914

O=C1C=CCCC(Cc2ccccc2)N1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
GBA1 P04062 1/20 0.39
CTSD P07339 1/20 0.38
ANPEP P15144 2/20 0.37
LNPEP Q9UIQ6 2/20 0.37
PLG P00747 2/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL6969341 0.81 POLB (0.42) POLBGBA1PLG
SCHEMBL19419777 0.73 CTSD (0.59) POLBDDB1CRBNGBA1CTSD
SCHEMBL2132646 0.73 CTSD (0.59) POLBDDB1CRBNGBA1CTSD
SCHEMBL8270781 0.73 CTSD (0.59) POLBDDB1CRBNGBA1CTSD
SCHEMBL11822892 0.73 POLB (0.47) POLBGBA1
SCHEMBL17305281 0.70 CTSD (0.56) POLBDDB1CRBNCTSDHDAC8
SCHEMBL5963417 0.70 CTSD (0.56) POLBDDB1CRBNCTSDHDAC8
SCHEMBL411529 0.70 POLB (0.49) POLBDDB1CRBNGBA1CTSD
SCHEMBL7385153 0.70 HDAC8 (0.47) POLBDDB1CRBNGBA1HDAC8
SCHEMBL7385157 0.70 HDAC8 (0.47) POLBDDB1CRBNGBA1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6043261-A TREATMENT OF INFLAMMATORY CONDITIONS AFFECTING THE JOINTS, FOR EXAMPLE ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA, CEREBRAL ISCHEMIA, THROMBOTIC STROKE, GLOBAL ISCHEMIA, NERVOUS SYSTEM DISORDERS G. D. SEARLE & CO. (US) 2000-03-28 US disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
US-5883251-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 1999-03-16 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed