SCHEMBL9876186

SCHEMBL9876186

N#Cc1ccc2c(c1)[C@@H](OC1=CC(=O)CC1)[C@H](O)C1(CCCCC1)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 9/20 0.41
ABCC8 Q09428 2/20 0.41
KCNJ11 Q14654 2/20 0.41
KCNJ8 Q15842 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.36
ABCB1 P08183 4/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KCNE1 P15382 3/20 0.34
KCNQ1 P51787 3/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 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
SCHEMBL9876177 1.00 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9876183 1.00 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9874277 0.85 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL6369151 0.85 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL31060528 0.85 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9874273 0.85 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8137096 0.82 ABCC9 (0.39) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8137100 0.82 ABCC9 (0.39) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9875883 0.82 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9875873 0.82 ABCC9 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071871-A Pharmaceutically useful benzo(β)pyranes and pyranopyridines SANDOZ LTD. (CH) 1991-12-10 US disclosed