SCHEMBL7835461

SCHEMBL7835461

O=C1CCCC2=C1C(c1cccc(Br)c1)C1=C(CCCC1=O)N2

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 13/20 0.74
ABCC8 Q09428 13/20 0.74
KCNJ11 Q14654 13/20 0.74
KCNJ8 Q15842 13/20 0.74
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
POLB P06746 1/20 0.68
HPGD P15428 1/20 0.68
TSHR P16473 1/20 0.68
FFAR3 O14843 1/20 0.59
GPR174 Q9BXC1 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
BCHE P06276 1/20 0.53
WDR5 P61964 1/20 0.51

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
SCHEMBL7835453 0.91 ABCC9 (0.67) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6904613 0.87 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7234156 0.87 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL15450490 0.86 GPR174 (0.70) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL7820668 0.83 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7836425 0.83 KDM4E (0.68) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7820460 0.83 GPR174 (0.74) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7836312 0.83 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8POLB
SCHEMBL7817258 0.82 GPR174 (0.72) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL3095468 0.80 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665834-B1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ASTRAZENECA AB (SE) 2001-05-30 EP disclosed
US-5622964-A ADMINISTERING 4,6,7,8-TETRAHYDRO-5(1H)-QUINOLONE DERIVATIVE TO TREAT ASTHMA IN MAMMALS ZENECA LIMITED (GB) 1997-04-22 US disclosed
US-5455253-A For urinary incontinence ZENECA LIMITED (GB) 1995-10-03 US disclosed
EP-0665834-A1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1995-08-09 EP disclosed
WO-1994008966-A1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1994-04-28 WO disclosed