SCHEMBL11240692

SCHEMBL11240692

CCCCCCOC(=O)CCNCCN

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.61
NAAA Q02083 1/20 0.55
DGKA P23743 1/20 0.55
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
FAAH O00519 1/20 0.50
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
EPHX1 P07099 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
CNR1 P21554 1/20 0.47
DNM1 Q05193 1/20 0.46
ACHE P22303 6/20 0.46
EPHX2 P34913 2/20 0.44

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
SCHEMBL11236824 1.00 HTR2C (0.61) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL11228989 1.00 HTR2C (0.61) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL11229532 1.00 HTR2C (0.61) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL11378431 1.00 HTR2C (0.61) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL16929670 0.98 HTR2C (0.58) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL11227543 0.93 HTR2C (0.51) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL12792347 0.91 NAAA (0.60) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL12792422 0.91 NAAA (0.60) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL12792361 0.90 NAAA (0.58) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL889256 0.90 NAAA (0.58) HTR2CNAAADGKAPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4315846-A FUNGICIDES TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1982-02-16 US disclosed
EP-0037861-A1 Salts of alkylenebisdithiocarbamic acid derivatives, processes for their preparation, fungicidal compositions containing them and methods of combating fungi TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1981-10-21 EP disclosed