SCHEMBL7832048

SCHEMBL7832048

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 14/20 0.56
ABCC8 Q09428 14/20 0.56
KCNJ11 Q14654 14/20 0.56
KCNJ8 Q15842 14/20 0.56
GALK1 P51570 1/20 0.47
GPR174 Q9BXC1 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL7836312 0.91 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL7835453 0.85 ABCC9 (0.67) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL7835588 0.85 KDM4E (0.61) ABCC9ABCC8KCNJ11KCNJ8GALK1
SCHEMBL7832437 0.84 GPR174 (0.59) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL7824313 0.84 GPR174 (0.60) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL7834709 0.83 ABCC9 (0.68) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7835762 0.82 GPR174 (0.66) ABCC9ABCC8KCNJ11KCNJ8GALK1
SCHEMBL7836378 0.82 FFAR3 (0.56) ABCC9ABCC8KCNJ11KCNJ8GALK1
SCHEMBL7836158 0.82 ABCC9 (0.84) ABCC9ABCC8KCNJ11KCNJ8GPR174
SCHEMBL6908843 0.81 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8GALK1

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-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
WO-1994008966-A1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1994-04-28 WO disclosed