SCHEMBL7970533

SCHEMBL7970533

CCOC(=O)c1ccc(NCCCN(C)C)c(N)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.72
GAA P10253 3/20 0.58
ALDH1A1 P00352 5/20 0.54
MAPT P10636 4/20 0.54
KDM4E B2RXH2 3/20 0.54
HSD17B10 Q99714 1/20 0.54
ALOX15 P16050 1/20 0.53
RAB9A P51151 3/20 0.48
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
LMNA P02545 3/20 0.47
CYP1A2 P05177 2/20 0.47
MAOA P21397 2/20 0.47
CNR1 P21554 1/20 0.47
DRD4 P21917 1/20 0.47
ACHE P22303 1/20 0.47
HRH2 P25021 1/20 0.47
HTR2A P28223 1/20 0.47

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
SCHEMBL15774411 0.93 PTGER4 (0.71) PTGER4GAAALDH1A1MAPTKDM4E
SCHEMBL16846282 0.86 PTGER4 (0.76) PTGER4GAAALDH1A1MAPTKDM4E
SCHEMBL15320652 0.85 PTGER4 (0.76) PTGER4GAAALDH1A1MAPTKDM4E
SCHEMBL15774530 0.84 PTGER4 (1.00) PTGER4GAAALDH1A1MAPTKDM4E
SCHEMBL7973995 0.82 PRSS1 (0.50) PTGER4GAAALDH1A1MAPTKDM4E
SCHEMBL14800323 0.82 PTGER4 (0.73) PTGER4GAAALDH1A1MAPTKDM4E
SCHEMBL7972061 0.81 MAPT (0.75) PTGER4ALDH1A1MAPTKDM4ERAB9A
SCHEMBL15774592 0.81 PTGER4 (1.00) PTGER4GAAALDH1A1MAPTKDM4E
SCHEMBL7970325 0.81 PTGER4 (0.50) PTGER4GAAALDH1A1MAPTKDM4E
SCHEMBL22931144 0.80 PTGER4 (0.71) PTGER4GAAALDH1A1MAPTKDM4E

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-6204264-B1 Benzimidazole derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO., LTD. (JP) 2001-03-20 US disclosed
EP-0989123-A1 Benzimidazole derivative, hair growth promoter and external composition for skin using the same SHISEIDO COMPANY LIMITED (JP) 2000-03-29 EP disclosed