SCHEMBL8797226

SCHEMBL8797226

CCCCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCO

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NMBR P28336 11/20 0.70
▸ TACR1 P25103 1/20 0.61
▸ MMP2 P08253 3/20 0.60
▸ MMP8 P22894 3/20 0.60
▸ MMP1 P03956 2/20 0.60
▸ TACR3 P29371 1/20 0.58
▸ MMP7 P09237 1/20 0.58
▸ MMP9 P14780 1/20 0.57
▸ HDAC3 O15379 3/20 0.56
▸ HDAC1 Q13547 3/20 0.56
▸ HDAC2 Q92769 3/20 0.56
▸ NCOR2 Q9Y618 3/20 0.56

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
SCHEMBL8797761 0.90 NMBR (0.66) NMBRTACR1MMP2MMP8MMP1
SCHEMBL6020210 0.86 NMBR (0.66) NMBRTACR1TACR3
SCHEMBL7439589 0.85 CTSL (0.72) NMBRTACR1TACR3
SCHEMBL6020516 0.85 CTSL (0.72) NMBRTACR1MMP2MMP8MMP1
SCHEMBL7443477 0.85 CTSL (0.72) NMBRTACR1TACR3
SCHEMBL6020039 0.85 NMBR (0.66) NMBRTACR1MMP2MMP8MMP1
SCHEMBL6020820 0.84 CTSL (0.69) NMBRTACR1MMP2MMP8MMP1
SCHEMBL8785114 0.83 KCNA5 (0.63) NMBR
SCHEMBL3820631 0.83 KCNA5 (0.63) NMBR
SCHEMBL4612012 0.83 KCNA5 (0.63) NMBR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807114-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-11-19 — — EP disclosed
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