SCHEMBL9048915

SCHEMBL9048915

CC1(C)Oc2ccc(-c3nnnn3CCc3ccccc3)cc2C(N2CCCCC2=O)C1O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.49
ABCC8 Q09428 2/20 0.49
KCNJ11 Q14654 2/20 0.49
KCNJ8 Q15842 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 1/20 0.49
SLC6A2 P23975 11/20 0.38
SLC6A4 P31645 10/20 0.38
SLC6A3 Q01959 8/20 0.38
HSD11B1 P28845 1/20 0.38
ABCB1 P08183 1/20 0.37
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9048476 0.90 ABCC9 (0.46) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9397060 0.89 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9393228 0.87 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9394234 0.86 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9049722 0.79 ABCC9 (0.40) ABCC9SLC6A2SLC6A4SLC6A3HSD11B1
SCHEMBL9050651 0.79 ABCC9 (0.40) ABCC9SLC6A2SLC6A4SLC6A3HSD11B1
SCHEMBL9394843 0.79 KCNE1 (0.40) ABCC9SLC6A2SLC6A4SLC6A3HSD11B1
SCHEMBL9054344 0.79 HSD11B1 (0.40) ABCC9LMNASLC6A2SLC6A4HSD11B1
SCHEMBL8885300 0.76 HSD11B1 (0.39) CYP1A2CYP2C9CYP2C19LMNASLC6A2
SCHEMBL9394229 0.75 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690855-B1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LTD (GB) 1996-12-18 EP claimed
EP-0690855-A1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LTD (GB) 1996-01-10 EP claimed
WO-1994020491-A1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LIMITED (GB) 1994-09-15 WO claimed