SCHEMBL8439228

SCHEMBL8439228

CC1(C)Oc2cc3nonc3cc2C(NCCO)C1O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 7/20 0.38
▸ ABCC9 O60706 6/20 0.36
▸ IDO1 P14902 1/20 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
SCHEMBL8441901 0.86 ABCC9 (0.37) ABCB1ABCC9IDO1
SCHEMBL8438968 0.83 ABCB1 (0.37) ABCB1ABCC9IDO1
SCHEMBL8443474 0.82 ABCC9 (0.40) ABCB1ABCC9
SCHEMBL8443304 0.81 ABCB1 (0.61) ABCB1ABCC9IDO1
SCHEMBL8440908 0.80 ABCB1 (0.38) ABCB1ABCC9IDO1
SCHEMBL8443291 0.76 ABCC9 (0.41) ABCC9
SCHEMBL8441999 0.76 ABCC9 (0.39) ABCB1ABCC9
SCHEMBL9029621 0.76 ABCC9 (0.37) ABCC9
SCHEMBL8438962 0.75 KCNH2 (0.38) ABCB1ABCC9
SCHEMBL2009843 0.74 IDO1 (0.40) ABCB1ABCC9IDO1

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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