SCHEMBL6559316

SCHEMBL6559316

CCS(=O)(=O)CCCCCNC1CC(C)(C)Oc2ccc(C(=O)OC)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.38
KCNA5 P22460 1/20 0.37
CTSD P07339 5/20 0.36
BACE1 P56817 5/20 0.36
SIRT2 Q8IXJ6 3/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
IDO1 P14902 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CNR2 P34972 2/20 0.33
MGLL Q99685 2/20 0.33
TSHR P16473 2/20 0.33
RAB9A P51151 2/20 0.33
CNR1 P21554 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6559265 1.00 TRPV1 (0.38) TRPV1KCNA5CTSDBACE1SIRT2
SCHEMBL6558734 0.96 TRPV1 (0.39) TRPV1KCNA5CTSDBACE1SIRT2
SCHEMBL6558219 0.90 TRPV1 (0.39) TRPV1KCNA5CTSDBACE1SIRT2
SCHEMBL6559514 0.90 TRPV1 (0.39) TRPV1KCNA5CTSDBACE1SIRT2
SCHEMBL6559522 0.86 TRPV1 (0.40) TRPV1KCNA5CTSDBACE1SIRT2
SCHEMBL6560804 0.83 TRPV1 (0.48) TRPV1CTSDBACE1
SCHEMBL6560865 0.81 KCNE1 (0.43) TRPV1SIRT2SIRT1CYP1A2CYP2C19
SCHEMBL6559299 0.81 KCNE1 (0.43) TRPV1SIRT2SIRT1CYP1A2CYP2C19
SCHEMBL6559967 0.80 SIRT2 (0.37) TRPV1CTSDBACE1SIRT2BACE2
SCHEMBL6559536 0.80 SIRT2 (0.37) TRPV1CTSDBACE1SIRT2BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807629-B1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed