SCHEMBL21784985

SCHEMBL21784985

NCCCCCO[C@@H]1CCN(C(C(=O)O)c2cc(F)ccc2C2CCCCO2)C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSB P07858 2/20 0.33
CTSS P25774 2/20 0.33
CTSL P07711 1/20 0.32
CTSK P43235 1/20 0.32
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
BCHE P06276 1/20 0.30
HRH1 P35367 2/20 0.30
CCR3 P51677 2/20 0.30

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
SCHEMBL21780618 0.92 LSS (0.34) LSSCTSBCTSSCTSLCTSK
SCHEMBL21780619 0.87 SSTR5 (0.34) MEN1KMT2AHRH1CCR3
SCHEMBL21784716 0.81 ITGAV (0.46)
SCHEMBL21784641 0.81 ITGAV (0.46)
SCHEMBL28579654 0.81 ITGAV (0.35)
SCHEMBL23426201 0.81 ITGAV (0.46)
SCHEMBL23426204 0.81 ITGAV (0.46)
SCHEMBL21767800 0.81 ITGAV (0.46)
SCHEMBL21767801 0.81 ITGAV (0.46)
SCHEMBL21780665 0.81

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
WO-2020047239-A1 INHIBITING αV β6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed