SCHEMBL9151065

SCHEMBL9151065

CCNC(=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
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP2 O75604 2/20 0.41
PTGER4 P35408 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F10 P00742 1/20 0.34
HPGD P15428 4/20 0.34
MAPT P10636 3/20 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
SCHEMBL9144260 0.92 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9146472 0.91 ABCC9 (0.40) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9144614 0.91 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9150608 0.90 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9148284 0.89 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9144739 0.89 ABCC9 (0.40) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9147453 0.88 ABCC9 (0.39) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9145507 0.88 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9146533 0.88 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9143105 0.88 LMNA (0.40) ABCC9ABCC8KCNJ11KCNJ8LMNA

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