SCHEMBL9724911

SCHEMBL9724911

CC1(C)Oc2ccc(C#N)cc2[C@@H](Sc2ccc(Cl)cc2)[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 15/20 0.66
ABCB1 P08183 3/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL9724917 1.00 ABCC9 (0.66) ABCC9ABCB1KDM4E
SCHEMBL9724915 1.00 ABCC9 (0.66) ABCC9ABCB1KDM4E
SCHEMBL8088687 0.86 ABCC9 (0.57) ABCC9ABCB1KDM4E
SCHEMBL8090770 0.80 ABCC9 (0.54) ABCC9ABCB1KDM4E
SCHEMBL8090764 0.80 ABCC9 (0.54) ABCC9ABCB1KDM4E
SCHEMBL482228 0.80 ABCC9 (0.86) ABCC9
SCHEMBL10266117 0.80 ABCC9 (0.86) ABCC9
SCHEMBL7332132 0.77 ABCC9 (0.56) ABCC9ABCB1KDM4E
SCHEMBL9150902 0.77 ABCC9 (0.70) ABCC9ABCB1
SCHEMBL9150891 0.77 ABCC9 (0.70) ABCC9ABCB1

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-5151442-A Cardiovascular disorders and nervous system disorders SANOFI (FR) 1992-09-29 US disclosed
US-5082858-A Antidepressants SANOFI (FR) 1992-01-21 US disclosed