SCHEMBL6978881

SCHEMBL6978881

COC(OC)[C@]1(C)Oc2ccccc2C2OC21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.31
ABCB1 P08183 1/20 0.30
LMNA P02545 1/20 0.30
KCNE1 P15382 1/20 0.30
KCNQ1 P51787 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
SCHEMBL14086609 1.00 IDO1 (0.31) IDO1ABCB1LMNAKCNE1KCNQ1
SCHEMBL13358844 1.00 IDO1 (0.31) IDO1ABCB1LMNAKCNE1KCNQ1
SCHEMBL4848406 0.81 HTR2A (0.32)
SCHEMBL4020277 0.81 HTR2A (0.32)
SCHEMBL2471392 0.78 ABCB1 (0.42) ABCB1
SCHEMBL2473015 0.77 AKR1B1 (0.37) LMNA
SCHEMBL6985601 0.77 AKR1B1 (0.37) LMNA
SCHEMBL2475336 0.77 AKR1B1 (0.37) LMNA
SCHEMBL2471965 0.77 AKR1B1 (0.37) LMNA
SCHEMBL7684277 0.77 AKR1B1 (0.37) LMNA

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
CN-1229371-C Benzopyran guanidine derivatives, process for preparing the same, and pharmaceutical composition thereof KOREA RES INST CHEM TECH (KR) 2005-11-30 CN disclosed
EP-1228058-B1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-12-10 EP disclosed
CN-1382134-A Benzopyranyl guanidine derivtives, process for preparation thereof and pharmaceutical compositions containing them KOREA RES INST CHEM TECH (KR) 2002-11-27 CN disclosed
US-6323238-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2001-11-27 US disclosed