SCHEMBL3427008

SCHEMBL3427008

CC1Cc2c(N3CCCC3)ccc(F)c2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 6/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
GAA P10253 3/20 0.35
THRB P10828 2/20 0.35
NR4A1 P22736 1/20 0.35
PTK2B Q14289 1/20 0.35
HPGD P15428 3/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.33
ALDH1A3 P47895 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PARP1 P09874 1/20 0.33
PSMD14 O00487 1/20 0.33
TDP2 O95551 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
SCHEMBL1285217 0.82 F10 (0.35) MEN1KMT2AGAAHTTPARP1
SCHEMBL1286561 0.76 MTNR1A (0.35)
SCHEMBL3428772 0.76 MTNR1A (0.43)
SCHEMBL1285096 0.75 NOTUM (0.34) SMN1; SMN2GAAHPGDPARP1
SCHEMBL1696511 0.74 MTNR1A (0.42)
SCHEMBL1285571 0.74 MTNR1A (0.42)
SCHEMBL1285589 0.73 PARP1 (0.58) ALDH1A1MAPTHPGDTSHRPARP1
SCHEMBL1285699 0.73 MAOA (0.51) ALDH1A1MAPTKMT2AHPGDTSHR
SCHEMBL1285591 0.72 MTNR1A (0.48)
SCHEMBL1285037 0.72 GAA (0.36) ALDH1A1SMN1; SMN2GAAHPGDPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010145989-A1 1-(2-ALKYL-2,3-DIHYDRO-BENZOFURAN-4-YL)-PYRROLIDIN-3-YLAMINE ACYL COMPOUNDS FERRER INTERNACIONAL S.A. (ES) 2010-12-23 WO claimed
WO-2010145989-A1 1-(2-ALKYL-2,3-DIHYDRO-BENZOFURAN-4-YL)-PYRROLIDIN-3-YLAMINE ACYL COMPOUNDS FERRER INTERNACIONAL S.A. (ES) 2010-12-23 WO disclosed
WO-2010145989-A1 1-(2-ALKYL-2,3-DIHYDRO-BENZOFURAN-4-YL)-PYRROLIDIN-3-YLAMINE ACYL COMPOUNDS FERRER INTERNACIONAL S.A. (ES) 2010-12-23 WO disclosed