SCHEMBL7561573

SCHEMBL7561573

O=C(NOC1CCCCO1)[C@H]1CN(C(=O)CCc2cccnc2)CCN1S(=O)(=O)c1sccc1-c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 16/20 0.37
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
FKBP1A P62942 1/20 0.34

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
SCHEMBL7058802 0.81 TSHR (0.41) C3AR1TSHRRAB9AMMP1MMP3
SCHEMBL7345274 0.73 CHRM3 (0.34) MMP1MMP3MMP7MMP9MMP13
SCHEMBL7346487 0.70 MMP13 (0.38) TSHRMMP1MMP3MMP7MMP9
SCHEMBL7346041 0.67 HTT (0.38) TSHRMMP1MMP3MMP7MMP9
SCHEMBL7377055 0.67 ALDH1A1 (0.38) MMP1MMP3MMP7MMP9MMP13
SCHEMBL7053159 0.66 MMP13 (0.36) MMP1MMP3MMP7MMP9MMP13
SCHEMBL2274463 0.66 C3AR1 (0.43) C3AR1
SCHEMBL1024986 0.66 C3AR1 (0.43) C3AR1
SCHEMBL7059787 0.65 NAMPT (0.40) C3AR1TSHRMMP1MMP3MMP7
SCHEMBL7346270 0.65 ALDH1A1 (0.43) TSHRRAB9A

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-0948489-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-13 EP disclosed
WO-1998027069-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-25 WO disclosed