SCHEMBL8438962

SCHEMBL8438962

CC1(C)Oc2cc3nonc3cc2C(NC2CCCCC2)C1O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.38
▸ ABCC9 O60706 6/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ TAS1R2 Q8TE23 1/20 0.31
▸ ABCB1 P08183 6/20 0.31

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
SCHEMBL3590960 0.86 KCNH2 (0.38) KCNH2ABCC9ABCB1
SCHEMBL9030169 0.85 HTT (0.38) ABCC9
SCHEMBL8443474 0.80 ABCC9 (0.40) ABCC9ABCB1
SCHEMBL3593880 0.80 KCNH2 (0.40) KCNH2ABCC9ABCB1
SCHEMBL8439228 0.75 ABCB1 (0.38) ABCC9ABCB1
SCHEMBL9035176 0.74 ABCC9 (0.41) ABCC9
SCHEMBL9029521 0.74 ABCC9 (0.39) ABCC9ABCB1
SCHEMBL8441026 0.72 KDM4E (0.44) ABCC9ABCB1
SCHEMBL8441901 0.72 ABCC9 (0.37) ABCC9ABCB1
SCHEMBL7402368 0.72 ABCC9 (0.32) ABCC9

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-5919806-A 8-AMINOPYRANO(2.3-F)BENZO-OXADIAZOLES, THIADIAZOLES AND TRIAZOLES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-06 — — US disclosed
EP-0693283-A1 HEART FAILURE REMEDY NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-01-24 — — EP disclosed
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