SCHEMBL9197846

SCHEMBL9197846

Cc1ccc2c(c1)C(N)C(O)C(C)(C)O2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KCNE1 P15382 8/20 0.38
KCNQ1 P51787 8/20 0.38
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABCB1 P08183 4/20 0.36
GAA P10253 1/20 0.36
ABCC9 O60706 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
KCND3 Q9UK17 1/20 0.34

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
SCHEMBL9197844 1.00 HTR1A (0.39) HTR1ASLC6A2HTR2CHTR2BSIGMAR1
SCHEMBL9197856 1.00 HTR1A (0.39) HTR1ASLC6A2HTR2CHTR2BSIGMAR1
SCHEMBL9530286 0.82 KCNE1 (0.53) KCNE1KCNQ1KDM4EL3MBTL1ABCB1
SCHEMBL8946767 0.82 KCNE1 (0.37) KCNE1KCNQ1KDM4EL3MBTL1ABCB1
SCHEMBL9198446 0.82 KCNE1 (0.37) KCNE1KCNQ1KDM4EL3MBTL1ABCB1
SCHEMBL8946770 0.82 KCNE1 (0.37) KCNE1KCNQ1KDM4EL3MBTL1ABCB1
SCHEMBL9530280 0.82 KCNE1 (0.53) KCNE1KCNQ1KDM4EL3MBTL1ABCB1
SCHEMBL9032549 0.82 KCNE1 (0.56) KCNE1KCNQ1ABCC9
SCHEMBL9032544 0.82 KCNE1 (0.56) KCNE1KCNQ1ABCC9
SCHEMBL9198451 0.82 KCNE1 (0.37) KCNE1KCNQ1KDM4EL3MBTL1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0389861-B1 Benzopyran derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1995-08-23 EP disclosed
US-5210234-A Benzopyran intermediates BEECHAM GROUP P.L.C. (GB) 1993-05-11 US disclosed
US-5104890-A Potassium channel activtors; vasodilators FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-04-14 US disclosed
EP-0250077-B1 PHARMACOLOGICALLY ACTIVE BENZOPYRANES BEECHAM GROUP PLC (GB) 1992-01-02 EP disclosed
US-5075460-A Hypotensive agents BEECHAM GROUP PLC (GB) 1991-12-24 US disclosed
EP-0389861-A1 Benzopyran derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-03 EP disclosed
US-4943582-A Active compounds BEECHAM GROUP P.L.C. (GB) 1990-07-24 US disclosed
EP-0250077-A2 Pharmacologically active benzopyranes BEECHAM GROUP PLC (GB) 1987-12-23 EP disclosed