SCHEMBL9146554

SCHEMBL9146554

CON(C)CC1=C(N2CCCC2=O)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.40
LMNA P02545 3/20 0.40
ABCC8 Q09428 2/20 0.40
KCNJ11 Q14654 2/20 0.40
KCNJ8 Q15842 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MALT1 Q9UDY8 1/20 0.32
PTGER4 P35408 1/20 0.32
MAOB P27338 1/20 0.32
HTR2A P28223 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
HTT P42858 2/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL9147156 0.92 ABCC9 (0.43) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL9148816 0.89 ABCC9 (0.39) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL9145661 0.89 ABCC9 (0.43) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL9148094 0.88 ABCC9 (0.40) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL9145726 0.87 ABCC9 (0.40) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL9147742 0.87 ABCC9 (0.41) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL9146756 0.87 ABCC9 (0.44) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL9150941 0.86 ABCC9 (0.41) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL9147449 0.85 ABCC9 (0.42) ABCC9LMNAABCC8KCNJ11KCNJ8
SCHEMBL9739182 0.85 ABCC9 (0.46) ABCC9LMNAABCC8KCNJ11KCNJ8

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
US-5447943-A Smooth muscle relaxants or bronchodilators SYNTEX (U.S.A.) INC. (US) 1995-09-05 US disclosed
US-5250547-A Potassium channel activators; 5-lipoxygenase inhibitors; muscle relaxants; bronchodilators SYNTEX (U.S.A.) INC. (US) 1993-10-05 US disclosed
EP-0529654-A1 Benzopyran derivatives as potassium channel activators and 5-lipoxygenase inhibitors SYNTEX (U.S.A.) INC. (US) 1993-03-03 EP disclosed