SCHEMBL6622774

SCHEMBL6622774

CCCC(F)OC(=O)N1CCN(CCN)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.37
HRH2 P25021 3/20 0.36
HRH1 P35367 3/20 0.36
GNAI3 P08754 2/20 0.36
GNAO1 P09471 2/20 0.36
GNAI1 P63096 2/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
PLA2G7 Q13093 1/20 0.33
MGLL Q99685 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL5713338 0.80 L3MBTL1 (0.38) ALDH1A1KDM4EPOLBSMN1; SMN2HTT
SCHEMBL7946318 0.79 HRH2 (0.45) ALOX15HRH2HRH1SMN1; SMN2
SCHEMBL3664525 0.79 L3MBTL1 (0.40) ALDH1A1KDM4EPOLBSMN1; SMN2HTT
SCHEMBL4634418 0.77 HRH2 (0.38) HRH2HRH1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8815940 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBCYP2C19SMN1; SMN2
SCHEMBL3636033 0.76 CA2 (0.35) GNAI3GNAO1GNAI1ALDH1A1POLB
SCHEMBL4050766 0.75 ALDH1A1 (0.53) ALOX15HRH2HRH1ALDH1A1KDM4E
SCHEMBL4440022 0.75 DPP4 (0.39) ALDH1A1POLBSMN1; SMN2HTTPLA2G7
SCHEMBL5595638 0.75 ALDH1A1 (0.33) ALDH1A1POLBSMN1; SMN2HTTABHD6
SCHEMBL20857025 0.74 CYP2C19 (0.48) ALOX15HRH2HRH1GNAI3GNAO1

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
EP-1453501-A1 N- ARYL-N'-ARYLCYCLOALKYL-UREA DERIVATIVES AS MCH ANTAGONISTS FOR THE TREATMENT OF OBESITY SCHERING CORPORATION (US) 2004-09-08 EP disclosed
WO-2003047568-A1 N-ARYL-N'-ARYLCYCLOALKYL-UREA DERIVATIVES AS MCH ANTAGONISTS FOR THE TREATMENT OF OBESITY SCHERING CORPORATION (US) 2003-06-12 WO disclosed