SCHEMBL21780671

SCHEMBL21780671

O=C(O)C(c1cc(F)ccc1C1CCC2(CC2)CO1)N1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 4/20 0.34
CYP2D6 P10635 3/20 0.34
USP2 O75604 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CYP3A4 P08684 3/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL23426235 1.00 FFAR4 (0.35) FFAR4LMNAGAAALDH1A1CYP2D6
SCHEMBL22650291 0.84 LMNA (0.38) LMNAGAAALDH1A1CYP1A2CYP2C9
SCHEMBL21780664 0.83 LMNA (0.37) LMNAGAAALDH1A1KDM4ESLC6A2
SCHEMBL21780658 0.76 LMNA (0.39) LMNAGAAALDH1A1CYP2C19KDM4E
SCHEMBL21780611 0.72 APP (0.33) FFAR4CHRM4CHRM1
SCHEMBL31072028 0.71 FFAR4 (0.32) FFAR4CHRM4CHRM1
SCHEMBL21767615 0.71 FFAR4 (0.32) FFAR4CHRM4CHRM1
SCHEMBL21767379 0.69 BACE1 (0.31)
SCHEMBL31072020 0.69 BACE1 (0.31)
SCHEMBL15063187 0.68 GAA (0.50) LMNAGAAALDH1A1KDM4ESLC6A2

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-3617206-A1 INTEGRIN INHIBITORS Morphic Therapeutic, Inc. (US) 2020-03-04 EP disclosed