SCHEMBL9147453

SCHEMBL9147453

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.39
CYP1A2 P05177 3/20 0.39
ABCC8 Q09428 2/20 0.39
KCNJ11 Q14654 2/20 0.39
KCNJ8 Q15842 2/20 0.39
LMNA P02545 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
USP2 O75604 2/20 0.35
PTGER4 P35408 1/20 0.34
ALDH1A1 P00352 5/20 0.33
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 3/20 0.33
HPGD P15428 2/20 0.33
GFER P55789 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL9145550 0.91 ABCC9 (0.39) ABCC9CYP1A2ABCC8KCNJ11KCNJ8
SCHEMBL9147444 0.89 ABCC9 (0.39) ABCC9CYP1A2ABCC8KCNJ11KCNJ8
SCHEMBL9151065 0.88 ABCC9 (0.41) ABCC9CYP1A2ABCC8KCNJ11KCNJ8
SCHEMBL9144614 0.88 ABCC9 (0.42) ABCC9CYP1A2ABCC8KCNJ11KCNJ8
SCHEMBL9144260 0.87 ABCC9 (0.42) ABCC9CYP1A2ABCC8KCNJ11KCNJ8
SCHEMBL9150608 0.86 ABCC9 (0.41) ABCC9CYP1A2ABCC8KCNJ11KCNJ8
SCHEMBL9144739 0.86 ABCC9 (0.40) ABCC9CYP1A2ABCC8KCNJ11KCNJ8
SCHEMBL9145622 0.85 KMT2A (0.37) CYP1A2LMNAUSP2ALDH1A1MAPT
SCHEMBL9147036 0.85 TSHR (0.36) CYP1A2LMNAUSP2ALDH1A1MAPT
SCHEMBL9145507 0.85 ABCC9 (0.44) ABCC9CYP1A2ABCC8KCNJ11KCNJ8

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