SCHEMBL3428772

SCHEMBL3428772

CC1Cc2c(N3CC[C@H](NC(=O)O)C3)ccc(F)c2O1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.43
MTNR1B P49286 18/20 0.43
USP30 Q70CQ3 1/20 0.39
SMPD3 Q9NY59 1/20 0.36

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
SCHEMBL1285176 0.91 MTNR1A (0.53) MTNR1AMTNR1BSMPD3
SCHEMBL1285050 0.90 MTNR1A (0.54) MTNR1AMTNR1BUSP30
SCHEMBL1285571 0.89 MTNR1A (0.42) MTNR1AMTNR1BUSP30SMPD3
SCHEMBL1696511 0.89 MTNR1A (0.42) MTNR1AMTNR1BUSP30SMPD3
SCHEMBL1285121 0.89 MTNR1A (0.56) MTNR1AMTNR1BUSP30
SCHEMBL1285845 0.89 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL1696512 0.88 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL1285591 0.88 MTNR1A (0.48) MTNR1AMTNR1BUSP30
SCHEMBL1284713 0.87 MTNR1A (0.57) MTNR1AMTNR1B
SCHEMBL1696499 0.87 PIM1 (0.46) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266975-A1 1-(2-alkyl-2,3-dihydro-benzofuran-4-yl)-pyrrolidin-3-ylamine acyl compounds Ferrer Internacional, S.A. (ES) 2010-12-29 EP 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 claimed
EP-2266975-A1 1-(2-alkyl-2,3-dihydro-benzofuran-4-yl)-pyrrolidin-3-ylamine acyl compounds Ferrer Internacional, S.A. (ES) 2010-12-29 EP 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