SCHEMBL14958780

SCHEMBL14958780

CCN1CCC(N2CCN(c3ccc(NC(=O)CCN(C)S(=O)(=O)c4c(C)cc(OC)cc4C)cc3)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 14/20 0.60
GFER P55789 1/20 0.42
REV1 Q9UBZ9 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL10118727 0.92 BDKRB1 (0.59) BDKRB1GFERKMT2A
SCHEMBL3440537 0.91 BDKRB1 (0.59) BDKRB1
SCHEMBL3440208 0.90 BDKRB1 (0.54) BDKRB1KMT2A
SCHEMBL12914508 0.85 POLB (0.55) BDKRB1GFERKMT2A
SCHEMBL3440040 0.85 BDKRB1 (0.53) BDKRB1GFERKMT2A
SCHEMBL3440534 0.84 BDKRB1 (0.47) BDKRB1GFERREV1KMT2A
SCHEMBL3440009 0.84 BDKRB1 (0.51) BDKRB1GFER
SCHEMBL3440280 0.84 BDKRB1 (0.51) BDKRB1GFER
SCHEMBL14958754 0.84 MAPT (0.54) BDKRB1KMT2A
SCHEMBL3444042 0.84 BDKRB1 (0.57) BDKRB1GFERREV1KMT2A

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-2402329-B1 Analgetic phenylsulphonamides BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed