SCHEMBL6689174

SCHEMBL6689174

CC(=O)OCCCCC#Cc1cccc(N)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
PTPN2 P17706 6/20 0.39
PTPN1 P18031 6/20 0.39
PTPN6 P29350 5/20 0.39
PTPN11 Q06124 5/20 0.39
ASIC3 Q9UHC3 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6693313 0.83 FFAR1 (0.46) FFAR1ASIC3DRD2DRD3ALDH1A1
SCHEMBL45751 0.78 KMT2A (0.42) PTPN2PTPN1PTPN6PTPN11
SCHEMBL2813014 0.77 KCNH2 (0.51) FFAR1ASIC3DRD2DRD3MAPT
SCHEMBL3684156 0.77 KCNH2 (0.51) FFAR1ASIC3DRD2DRD3MAPT
SCHEMBL1312083 0.76 ASIC3 (0.52) FFAR1ASIC3DRD2DRD3HTR2C
SCHEMBL2809245 0.76 DRD2 (0.44) FFAR1ASIC3DRD2DRD3TSHR
SCHEMBL6696703 0.75 PTPN2 (0.49) FFAR1PTPN2PTPN1PTPN6PTPN11
SCHEMBL6696643 0.74 MAOA (0.46) ALDH1A1
SCHEMBL46934 0.74 ALDH1A1 (0.38) PTPN2PTPN1PTPN6PTPN11ALDH1A1
SCHEMBL6694265 0.74 FFAR1 (0.62) FFAR1ASIC3DRD2DRD3

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-2004106292-A1 HALOETHYL UREA COMPOUNDS AND THEIR USE TO ATTENUATE, INHIBIT OR PREVENT NON-CANCEROUS PATHOGENIC CELLULAR PROLIFERATION AND DISEASES ASSOCIATED THEREWITH IMOTEP INC. (CA) 2004-12-09 WO disclosed
WO-2004106291-A1 HALOETHYL UREA COMPOUNDS AND THE USE THEREOF TO ATTENUATE, INHIBIT OR PREVENT CANCER CELL MIGRATION IMOTEP INC. (CA) 2004-12-09 WO disclosed