SCHEMBL631253

SCHEMBL631253

CC(C)Oc1ccc(C[C@H](NC(=O)O[C@H]2CCCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.42
KCNQ1 P51787 1/20 0.41
CACNA1B Q00975 2/20 0.39
POLB P06746 1/20 0.38
TACR2 P21452 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL631050 0.93 KCNQ1 (0.47) BDKRB1KCNQ1
SCHEMBL1383354 0.90 KCNQ1 (0.48) BDKRB1KCNQ1CACNA1BPOLB
SCHEMBL629996 0.90 KCNQ1 (0.48) BDKRB1KCNQ1CACNA1BPOLB
SCHEMBL631034 0.90 KCNQ1 (0.44) BDKRB1KCNQ1CACNA1BPOLB
SCHEMBL631193 0.88 MEN1 (0.47) BDKRB1KCNQ1POLB
SCHEMBL630021 0.86 KCNQ1 (0.44) BDKRB1KCNQ1CACNA1BPOLB
SCHEMBL630706 0.85 KCNQ1 (0.46) KCNQ1POLB
SCHEMBL631454 0.84 BDKRB1 (0.45) BDKRB1KCNQ1
SCHEMBL629860 0.84 BDKRB1 (0.41) BDKRB1KCNQ1POLB
SCHEMBL630034 0.83 KCNQ1 (0.56) BDKRB1KCNQ1POLB

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
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed