SCHEMBL7835588

SCHEMBL7835588

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
ABCC9 O60706 14/20 0.56
ABCC8 Q09428 14/20 0.56
KCNJ11 Q14654 14/20 0.56
KCNJ8 Q15842 14/20 0.56
BCHE P06276 2/20 0.53
GALK1 P51570 1/20 0.47
GPR174 Q9BXC1 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7836425 0.91 KDM4E (0.68) KDM4EABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7835453 0.85 ABCC9 (0.67) KDM4EABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7832048 0.85 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8GALK1
SCHEMBL7836378 0.84 FFAR3 (0.56) KDM4EABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7824313 0.84 GPR174 (0.60) KDM4EABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7836158 0.82 ABCC9 (0.84) KDM4EABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7835762 0.82 GPR174 (0.66) KDM4EABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7824114 0.82 ABCC9 (0.58) KDM4EABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6909977 0.81 KDM4E (0.57) KDM4EABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7835693 0.81 ABCC9 (0.52) KDM4EABCC9ABCC8KCNJ11KCNJ8

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