SCHEMBL7824313

SCHEMBL7824313

O=C1CCCC2=C1C(c1ccccc1)C1=C(CCCC1)N2

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 12/20 0.60
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 2/20 0.55
ABCC9 O60706 1/20 0.53
ABCC8 Q09428 1/20 0.53
KCNJ11 Q14654 1/20 0.53
KCNJ8 Q15842 1/20 0.53
CACNA1D Q01668 1/20 0.52
FFAR3 O14843 1/20 0.50
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL7817258 0.89 GPR174 (0.72) GPR174MEN1KMT2AALDH1A1ABCC9
SCHEMBL7832437 0.86 GPR174 (0.59) GPR174MEN1KMT2AALDH1A1ABCC9
SCHEMBL7835588 0.84 KDM4E (0.61) GPR174MEN1KMT2AABCC9ABCC8
SCHEMBL7832048 0.84 ABCC9 (0.56) GPR174MEN1KMT2AABCC9ABCC8
SCHEMBL7835453 0.84 ABCC9 (0.67) GPR174MEN1KMT2AALDH1A1ABCC9
SCHEMBL7835762 0.81 GPR174 (0.66) GPR174MEN1KMT2AALDH1A1ABCC9
SCHEMBL7836378 0.81 FFAR3 (0.56) GPR174MEN1KMT2AABCC9ABCC8
SCHEMBL7836158 0.81 ABCC9 (0.84) GPR174MEN1KMT2AALDH1A1ABCC9
SCHEMBL7835693 0.80 ABCC9 (0.52) GPR174MEN1KMT2AALDH1A1ABCC9
SCHEMBL7824114 0.78 ABCC9 (0.58) GPR174MEN1KMT2AABCC9ABCC8

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