SCHEMBL7319009

SCHEMBL7319009

CC1(C)Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2[C@H](N2CCCC2=O)[C@H]1O

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 16/20 0.63
ABCC8 Q09428 2/20 0.63
KCNJ11 Q14654 2/20 0.63
KCNJ8 Q15842 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
LMNA P02545 1/20 0.63

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
SCHEMBL7319016 1.00 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7331787 0.91 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7331784 0.91 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7331778 0.91 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9621189 0.88 ABCC9 (0.71) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9621182 0.88 ABCC9 (0.71) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9621180 0.88 ABCC9 (0.71) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7330290 0.88 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7330292 0.88 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7330300 0.88 ABCC9 (0.60) 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
EP-0355565-A1 6-Benzoyl-substituted 3,4-dihydro-2H-benzopyranes, method for their preparation and pharmaceutical preparations based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-28 EP disclosed