SCHEMBL2899440

SCHEMBL2899440

CNc1ccc2c(c1)OC(C)(C)C(O)[C@H]2NCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.47
KCNA5 P22460 8/20 0.43
IDO1 P14902 4/20 0.42
ABCC9 O60706 1/20 0.36
FUCA1 P04066 2/20 0.35

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
SCHEMBL2891533 1.00 ABCB1 (0.47) ABCB1KCNA5IDO1ABCC9FUCA1
SCHEMBL2891532 1.00 ABCB1 (0.47) ABCB1KCNA5IDO1ABCC9FUCA1
Hydrochloric Acid SCHEMBL2892176 0.99 ABCB1 (0.46) ABCB1KCNA5IDO1ABCC9FUCA1
Hydrochloric Acid SCHEMBL2892177 0.99 ABCB1 (0.46) ABCB1KCNA5IDO1ABCC9FUCA1
Hydrochloric Acid SCHEMBL2901402 0.99 ABCB1 (0.46) ABCB1KCNA5IDO1ABCC9FUCA1
SCHEMBL13199639 0.88 ABCB1 (0.44) ABCB1KCNA5IDO1ABCC9
SCHEMBL2889006 0.88 ABCB1 (0.44) ABCB1KCNA5IDO1ABCC9
Hydrochloric Acid SCHEMBL2889114 0.87 ABCB1 (0.44) ABCB1KCNA5IDO1
Hydrochloric Acid SCHEMBL2889112 0.87 ABCB1 (0.44) ABCB1KCNA5IDO1
Hydrochloric Acid SCHEMBL14313874 0.87 ABCB1 (0.44) ABCB1KCNA5IDO1

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-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US claimed
EP-1718629-B1 Benzopyran compounds useful for the treatment of arrhytmia NISSAN CHEMICAL IND LTD (JP) 2012-12-26 EP disclosed