SCHEMBL9876128

SCHEMBL9876128

CC1(C)Oc2ccc(C#N)cc2[C@@H](NC2=C(F)C(=O)CC2)[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 10/20 0.56
ABCB1 P08183 8/20 0.54
ABCC8 Q09428 2/20 0.51
KCNJ11 Q14654 2/20 0.51
KCNJ8 Q15842 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL9876121 1.00 ABCC9 (0.56) ABCC9ABCB1ABCC8KCNJ11KCNJ8
SCHEMBL9876116 1.00 ABCC9 (0.56) ABCC9ABCB1ABCC8KCNJ11KCNJ8
SCHEMBL9876217 0.88 ABCC9 (0.57) ABCC9ABCB1
SCHEMBL9876793 0.88 ABCC9 (0.56) ABCC9ABCB1ABCC8KCNJ11KCNJ8
SCHEMBL9876783 0.88 ABCC9 (0.56) ABCC9ABCB1ABCC8KCNJ11KCNJ8
SCHEMBL9876788 0.88 ABCC9 (0.56) ABCC9ABCB1ABCC8KCNJ11KCNJ8
SCHEMBL9876225 0.88 ABCC9 (0.57) ABCC9ABCB1
SCHEMBL9876219 0.88 ABCC9 (0.57) ABCC9ABCB1
SCHEMBL9875810 0.86 ABCC9 (0.54) ABCC9ABCB1ABCC8KCNJ11KCNJ8
SCHEMBL9876352 0.86 ABCB1 (0.55) ABCC9ABCB1ABCC8KCNJ11KCNJ8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071871-A Pharmaceutically useful benzo(β)pyranes and pyranopyridines SANDOZ LTD. (CH) 1991-12-10 US disclosed