SCHEMBL5321968

SCHEMBL5321968

CN(C)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.51
CHRNA10 Q9GZZ6 1/20 0.51
CHRNA9 Q9UGM1 1/20 0.51
SYK P43405 2/20 0.48
CHEK1 O14757 1/20 0.48
CASP6 P55212 1/20 0.47
GFER P55789 1/20 0.47
PARP14 Q460N5 4/20 0.47
PARP10 Q53GL7 4/20 0.47
GPR119 Q8TDV5 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.47
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TMPRSS6 Q8IU80 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46
LMNA P02545 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
SCHEMBL1483601 0.86 MAPT (0.63) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL6150875 0.84 GFER (0.68) SYKCASP6GFERALDH1A1MAPT
SCHEMBL1811256 0.84 GFER (0.68) SYKCASP6GFERALDH1A1MAPT
SCHEMBL4985313 0.82 GFER (0.70) CHRNA7CHRNA10CHRNA9SYKCHEK1
SCHEMBL22542064 0.82 AKR1C3 (0.59) CASP6GFERALDH1A1MAPTKMT2A
SCHEMBL4990421 0.81 NAMPT (0.52) CHRNA7CHRNA10CHRNA9CHEK1CASP6
SCHEMBL30508269 0.81 AKR1C3 (0.58) CASP6GFERALDH1A1MAPTKMT2A
SCHEMBL11048879 0.80 HRH3 (0.59) ALDH1A1MAPTKMT2ALMNAHRH3
SCHEMBL20883570 0.79 PANK3 (0.56) CASP6GFERALDH1A1MAPTKMT2A
SCHEMBL7258616 0.79 CASP6 (0.53) CHRNA7CHRNA10CHRNA9CHEK1CASP6

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
WO-2007097697-A1 THERAPEUTIC QUINOLINE COMPOUNDS THAT ARE 5HT1B MODULATORS ASTRAZENECA AB (SE) 2007-08-30 WO claimed
WO-2007097697-A1 THERAPEUTIC QUINOLINE COMPOUNDS THAT ARE 5HT1B MODULATORS ASTRAZENECA AB (SE) 2007-08-30 WO disclosed