SCHEMBL6561449

SCHEMBL6561449

CCCCC(CC)CN1CCCNC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
PER2 O15055 2/20 0.39
MAPT P10636 1/20 0.38
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
CRY2 Q49AN0 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
SCHEMBL2145803 0.78 PIK3CD (0.54) PER2CHRM2HTR1AADRA2AADORA3
SCHEMBL24404815 0.78 NAAA (0.45) SMN1; SMN2PER2MAPTCYP2D6ALDH1A1
SCHEMBL11856423 0.76 PIK3CD (0.47) PER2CHRM2HTR1AADRA2AADORA3
SCHEMBL7623569 0.75 KMT2A (0.50) SMN1; SMN2PER2MAPTALDH1A1KDM4E
SCHEMBL28275290 0.74 KMT2A (0.49) SMN1; SMN2PER2MAPTALDH1A1KDM4E
SCHEMBL11500304 0.74 SMN1; SMN2 (0.46) SMN1; SMN2PER2MAPTALDH1A1KDM4E
SCHEMBL20380381 0.72 ALOX5 (0.46) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL6560577 0.72 ALOX5 (0.46) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL28276582 0.71 ALOX5 (0.45) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL28276576 0.71 ALOX5 (0.45) SMN1; SMN2MAPTALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976796-B1 Cyclic urea surfactants AIR PROD & CHEM (US) 2004-09-22 EP claimed
US-6262156-B1 FOR WATER-BASED COMPOSITIONS, PARTICULARLY COATING, INK, AND AGRICULTURAL COMPOSITIONS, MANIFESTING REDUCED EQUILIBRIUM AND DYNAMIC SURFACE TENSION BY INCORPORATION OF A SURFACE TENSION REDUCING CERTAIN CYCLIC UREA COMPOUNDS AIR PRODUCTS AND CHEMICALS, INC. 2001-07-17 US claimed
US-6238849-B1 CLEANING COMPOSITIONS MANIFESTING REDUCED EQUILIBRIUM AND DYNAMIC SURFACE TENSION AIR PRODUCTS AND CHEMICALS, INC. 2001-05-29 US claimed
EP-0976796-A2 Cyclic urea surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-02-02 EP claimed
US-5972431-A Cyclic urea surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-10-26 US claimed
EP-0976796-B1 Cyclic urea surfactants AIR PROD & CHEM (US) 2004-09-22 EP disclosed
US-6262156-B1 FOR WATER-BASED COMPOSITIONS, PARTICULARLY COATING, INK, AND AGRICULTURAL COMPOSITIONS, MANIFESTING REDUCED EQUILIBRIUM AND DYNAMIC SURFACE TENSION BY INCORPORATION OF A SURFACE TENSION REDUCING CERTAIN CYCLIC UREA COMPOUNDS AIR PRODUCTS AND CHEMICALS, INC. 2001-07-17 US disclosed
US-6238849-B1 CLEANING COMPOSITIONS MANIFESTING REDUCED EQUILIBRIUM AND DYNAMIC SURFACE TENSION AIR PRODUCTS AND CHEMICALS, INC. 2001-05-29 US disclosed
US-6179906-B1 REDUCING SURFACE TENSION AIR PRODUCTS AND CHEMICALS, INC. 2001-01-30 US disclosed
EP-0976796-A2 Cyclic urea surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-02-02 EP disclosed
US-5972431-A Cyclic urea surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-10-26 US disclosed