SCHEMBL9358552

SCHEMBL9358552

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

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 9/20 0.75
ABCB1 P08183 10/20 0.65

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
SCHEMBL9358561 1.00 ABCC9 (0.75) ABCC9ABCB1
SCHEMBL9273379 0.90 ABCC9 (0.78) ABCC9ABCB1
SCHEMBL9532337 0.90 ABCC9 (0.78) ABCC9ABCB1
SCHEMBL9273375 0.90 ABCC9 (0.78) ABCC9ABCB1
SCHEMBL9273381 0.90 ABCC9 (0.78) ABCC9ABCB1
SCHEMBL9532318 0.90 ABCC9 (0.78) ABCC9ABCB1
SCHEMBL9397760 0.88 ABCB1 (0.66) ABCC9ABCB1
SCHEMBL9397779 0.88 ABCB1 (0.66) ABCC9ABCB1
SCHEMBL9397766 0.88 ABCB1 (0.66) ABCC9ABCB1
SCHEMBL9354137 0.87 ABCC9 (0.73) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4575511-A Anti-hypertensive chromanol derivatives BEECHAM GROUP P.L.C. (GB) 1986-03-11 US claimed
EP-0126367-B1 Chroman and chromene derivatives BEECHAM GROUP PLC (GB) 1994-10-12 EP disclosed
US-4575511-A Anti-hypertensive chromanol derivatives BEECHAM GROUP P.L.C. (GB) 1986-03-11 US disclosed
EP-0126367-A1 Chroman and chromene derivatives BEECHAM GROUP PLC (GB) 1984-11-28 EP disclosed