SCHEMBL7967887

SCHEMBL7967887

COC(OC)[C@]1(C)Oc2ccccc2[C@@H](N)[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
ABCB1 P08183 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
IDO1 P14902 1/20 0.30

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
SCHEMBL7962526 1.00 KCNE1 (0.34) KCNE1KCNQ1ABCB1MAOAMAOB
SCHEMBL27500981 0.81 BCL2 (0.33)
SCHEMBL27516097 0.81 BCL2 (0.33)
SCHEMBL7970569 0.81 BCL2 (0.33)
SCHEMBL7964901 0.81 BCL2 (0.33)
SCHEMBL7952707 0.78 KDM4E (0.44) KCNE1KCNQ1ABCB1
SCHEMBL7964893 0.78 KDM4E (0.44) KCNE1KCNQ1ABCB1
SCHEMBL7134039 0.78 KDM4E (0.44) KCNE1KCNQ1ABCB1
SCHEMBL7963805 0.78 KDM4E (0.44) KCNE1KCNQ1ABCB1
SCHEMBL7134035 0.78 KDM4E (0.44) KCNE1KCNQ1ABCB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323238-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2001-11-27 US disclosed