SCHEMBL5700874

SCHEMBL5700874

COC(=O)C[C@@H](NCC(C)=O)c1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.40
F10 P00742 2/20 0.40
PRSS1 P07477 1/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
TNF P01375 1/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
SLC6A3 Q01959 1/20 0.33
TACR3 P29371 1/20 0.33
SOAT1 P35610 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33

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
SCHEMBL5700869 0.82 KMT2A (0.44) F2F10PRSS1MAPTRAB9A
SCHEMBL5700864 0.82 KMT2A (0.44) F2F10PRSS1MAPTRAB9A
SCHEMBL5700980 0.81 MAPT (0.39) F2F10PRSS1MAPTRAB9A
SCHEMBL5701026 0.76 ALDH1A1 (0.51) F2F10PRSS1MAPTRAB9A
SCHEMBL8298418 0.74 MAPT (0.45) F2F10PRSS1MAPTRAB9A
SCHEMBL6497055 0.74 MAPT (0.45) F2F10PRSS1MAPTRAB9A
SCHEMBL5700925 0.73 MEN1 (0.60) F2F10PRSS1MAPTRAB9A
SCHEMBL5700932 0.73 MEN1 (0.60) F2F10PRSS1MAPTRAB9A
SCHEMBL4029008 0.73 TSHR (0.41) F2F10PRSS1MAPTRAB9A
SCHEMBL4029006 0.73 TSHR (0.41) F2F10PRSS1MAPTRAB9A

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-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed