SCHEMBL8902668

SCHEMBL8902668

CC1(C)Oc2ccc(-c3ccc([PH](=O)O)cc3)cc2C(N)[C@@H]1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNE1 P15382 10/20 0.34
▸ KCNQ1 P51787 10/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ABCC9 O60706 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KCND3 Q9UK17 1/20 0.32
▸ ABCB1 P08183 2/20 0.31
▸ ABCC8 Q09428 1/20 0.31
▸ KCNJ11 Q14654 1/20 0.31
▸ KCNJ8 Q15842 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
SCHEMBL9092563 0.74 MAPK1 (0.41) ABCC9
SCHEMBL9371070 0.74 MAPK1 (0.41) ABCC9
SCHEMBL9092568 0.74 MAPK1 (0.41) ABCC9
SCHEMBL9197856 0.73 HTR1A (0.39) KCNE1KCNQ1KDM4EHTR1AHTR2B
SCHEMBL9197846 0.73 HTR1A (0.39) KCNE1KCNQ1KDM4EHTR1AHTR2B
SCHEMBL9530280 0.72 KCNE1 (0.53) KCNE1KCNQ1KDM4EL3MBTL1ABCC9
SCHEMBL9198459 0.72 KCNE1 (0.37) KCNE1KCNQ1KDM4EL3MBTL1ABCC9
SCHEMBL9032544 0.72 KCNE1 (0.56) KCNE1KCNQ1ABCC9
SCHEMBL8946770 0.72 KCNE1 (0.37) KCNE1KCNQ1KDM4EL3MBTL1ABCC9
SCHEMBL9198446 0.72 KCNE1 (0.37) KCNE1KCNQ1KDM4EL3MBTL1ABCC9

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-5612323-A ANTIISCHEMIC BRISTOL-MYERS SQUIBB COMPANY (US) 1997-03-18 — — US disclosed
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