SCHEMBL9150608

SCHEMBL9150608

COC(=O)NCC1=C(N2CCCC2=O)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.41
ABCC8 Q09428 2/20 0.41
KCNJ11 Q14654 2/20 0.41
KCNJ8 Q15842 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
PTGER4 P35408 1/20 0.36
ALDH1A1 P00352 3/20 0.35
POLB P06746 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
USP2 O75604 2/20 0.35
MEN1 O00255 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 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
SCHEMBL9144739 0.92 ABCC9 (0.40) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9144614 0.91 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9144260 0.90 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9145523 0.90 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9151065 0.90 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9145507 0.88 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9146533 0.88 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9143105 0.88 LMNA (0.40) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9148804 0.87 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9147453 0.86 ABCC9 (0.39) 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
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