SCHEMBL9315191

SCHEMBL9315191

CC1(C)Oc2ccc(C#N)cc2[C@H](n2nc(O)ccc2=O)[C@H]1O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 13/20 0.58
ABCC8 Q09428 2/20 0.58
KCNJ11 Q14654 2/20 0.58
KCNJ8 Q15842 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
LMNA P02545 1/20 0.58
ABCB1 P08183 5/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL7275528 1.00 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9315187 1.00 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9313835 0.89 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9313841 0.89 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9313830 0.89 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8088708 0.87 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9314126 0.86 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9314135 0.86 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9314132 0.86 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9313729 0.85 ABCC9 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5284838-A Hypotensive agents ELF SANOFI (FR) 1994-02-08 US disclosed
US-5043352-A Chroman derivatives for the treatment of depressive states SANOFI (FR) 1991-08-27 US disclosed