SCHEMBL643095

SCHEMBL643095

COc1cc(C)c(S(=O)(=O)N(C)CCCNC(=O)N2CCC(C(c3ccccc3)N(C)C)CC2)c(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 8/20 0.48
AVPR1A P37288 8/20 0.41
BDKRB1 P46663 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HTR6 P50406 1/20 0.36

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
SCHEMBL2492035 0.89 AVPR1B (0.46) AVPR1BAVPR1ABDKRB1MEN1KMT2A
SCHEMBL645571 0.86 AVPR1B (0.46) AVPR1BAVPR1AMEN1KMT2A
SCHEMBL642950 0.85 AVPR1B (0.45) AVPR1BAVPR1AMEN1KMT2A
SCHEMBL493144 0.77 BDKRB1 (0.40) AVPR1BAVPR1ABDKRB1
SCHEMBL643968 0.77 AVPR1B (0.43) AVPR1BAVPR1ABDKRB1HTR6
SCHEMBL492675 0.77 BDKRB1 (0.41) AVPR1BAVPR1ABDKRB1
SCHEMBL493601 0.73 AVPR1B (0.37) AVPR1BAVPR1ABDKRB1HTR6
SCHEMBL493207 0.71 BDKRB1 (0.42) AVPR1ABDKRB1
SCHEMBL492944 0.71 BDKRB1 (0.42) AVPR1ABDKRB1
SCHEMBL493671 0.71 BDKRB1 (0.41) AVPR1BBDKRB1

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-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed