SCHEMBL8744975

SCHEMBL8744975

COc1ccc(N2CCN(Cc3ccc(CC(=O)O)cc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.64
ITGA2B P08514 2/20 0.64
KMT2A Q03164 3/20 0.61
MAPT P10636 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
HSD17B10 Q99714 1/20 0.61
FFAR1 O14842 1/20 0.59
SIGMAR1 Q99720 2/20 0.58
GFER P55789 1/20 0.58
ALDH1A1 P00352 1/20 0.55
PKM P14618 1/20 0.55
DRD4 P21917 1/20 0.55
MEN1 O00255 2/20 0.54
HTR1A P08908 1/20 0.54

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
SCHEMBL10901326 0.87 KMT2A (0.68) KMT2AMAPTL3MBTL1HSD17B10FFAR1
SCHEMBL8744966 0.86 KDM4E (0.71) ITGB3ITGA2BKMT2AMAPTHSD17B10
Hydrochloric Acid SCHEMBL8745027 0.85 KDM4E (0.70) ITGB3ITGA2BKMT2AMAPTHSD17B10
SCHEMBL4539667 0.85 ITGB3 (0.71) ITGB3ITGA2BL3MBTL1SIGMAR1ALDH1A1
SCHEMBL10898711 0.84 SIGMAR1 (0.66) SIGMAR1PKM
SCHEMBL10901064 0.83 ITGB3 (0.70) ITGB3ITGA2BKMT2AMAPTL3MBTL1
SCHEMBL5542061 0.83 SIGMAR1 (0.60) KMT2AMAPTL3MBTL1HSD17B10SIGMAR1
SCHEMBL5542069 0.83 DRD4 (0.66) KMT2AMAPTL3MBTL1HSD17B10FFAR1
SCHEMBL11923385 0.83 SIGMAR1 (0.79) KMT2AMAPTL3MBTL1HSD17B10SIGMAR1
SCHEMBL8691440 0.83 DRD4 (0.70) ITGB3ITGA2BMAPTGFERALDH1A1

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-0753515-A2 Benzylpiperazine derivatives as antiallergic and anti-inflammatory agents Senju Pharmaceutical Co., Ltd. (JP) 1997-01-15 EP claimed
EP-0753515-A2 Benzylpiperazine derivatives as antiallergic and anti-inflammatory agents Senju Pharmaceutical Co., Ltd. (JP) 1997-01-15 EP disclosed