SCHEMBL8775534

SCHEMBL8775534

CCOC(=O)c1cncc(-c2ccc(C3(O)CN4CCC3CC4)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
MMP13 P45452 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39

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
SCHEMBL8775496 0.74 KMT2A (0.58) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL8685481 0.73 KMT2A (0.58) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL640338 0.73 CYP2C9 (0.59) CYP2C9CYP2C19
SCHEMBL5744998 0.73 CHRNA7 (0.56)
SCHEMBL4908272 0.72 LMNA (0.59) KMT2ACYP2C9CYP2C19
SCHEMBL8622944 0.72 CYP2C19 (0.57) KMT2ACYP2C9CYP2C19
SCHEMBL5372083 0.71 CYP2C9 (0.65) KMT2ACYP2C9CYP2C19
SCHEMBL640295 0.71 CYP11B1 (0.60) KMT2ACYP2C9CYP2C19
SCHEMBL3603338 0.70 SCD (0.51) CYP2C9CYP2C19CPT2CPT1A
SCHEMBL640459 0.70 CYP2C9 (0.55) CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0598093-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHETASE INHIBITORS ZENECA LTD (GB) 1997-11-19 EP claimed
EP-0598093-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHETASE INHIBITORS ZENECA LIMITED (GB) 1994-05-25 EP claimed
WO-1993024486-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHETASE INHIBITORS ZENECA LIMITED (GB) 1993-12-09 WO claimed
EP-0598093-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHETASE INHIBITORS ZENECA LTD (GB) 1997-11-19 EP disclosed
US-5554613-A QUINUCLIDINE DERIVATIVES, QUALENE SYNTHASE INHIBITORS, TREATMENT OF HYPERCHOLESTEROLEMIA, ATHEROSCLEROSIS AND FUNGUS INFECTIONS ZENECA LIMITED (GB) 1996-09-10 US disclosed
EP-0598093-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHETASE INHIBITORS ZENECA LIMITED (GB) 1994-05-25 EP disclosed
WO-1993024486-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHETASE INHIBITORS ZENECA LIMITED (GB) 1993-12-09 WO disclosed