SCHEMBL8617088

SCHEMBL8617088

OC1(c2ccc(/C=C/c3ccc4c(c3)OCO4)cc2)CN2CCC1CC2

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
CYP19A1 P11511 1/20 0.47
MAOB P27338 2/20 0.44
CHRM1 P11229 1/20 0.43
CYP3A4 P08684 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL8617090 1.00 KMT2A (0.50) KMT2ACYP19A1MAOBCHRM1CYP3A4
SCHEMBL9492980 0.86 KMT2A (0.55) KMT2ACHRM1
SCHEMBL7759295 0.84 KMT2A (0.53) KMT2ACHRM1
Oxalic Acid SCHEMBL9495879 0.81 KMT2A (0.49) KMT2ACHRM1
SCHEMBL8647579 0.79 KMT2A (0.60) KMT2ACHRM1
SCHEMBL8649491 0.79 KMT2A (0.60) KMT2ACHRM1
SCHEMBL8647576 0.79 KMT2A (0.60) KMT2ACHRM1
SCHEMBL9842900 0.78 KMT2A (0.55) KMT2ACHRM1
Hydrochloric Acid SCHEMBL8988266 0.76 KMT2A (0.56) KMT2ACHRM1
SCHEMBL8646167 0.75 KMT2A (0.58) KMT2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0596057-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1998-09-09 EP claimed
EP-0674636-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1995-10-04 EP claimed
WO-1994014804-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-07-07 WO claimed
EP-0596057-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-05-11 EP claimed
WO-1993021183-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO claimed
EP-0596057-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1998-09-09 EP disclosed
EP-0674636-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1998-05-20 EP disclosed
EP-0674636-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1995-10-04 EP disclosed
WO-1994014804-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-07-07 WO disclosed