SCHEMBL3432115

SCHEMBL3432115

CCC1Cc2c(cccc2N2CC[C@H](NC(=O)O)C2)O1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.56
MTNR1B P49286 18/20 0.56
MAPT P10636 1/20 0.43

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
SCHEMBL3426737 0.93 MTNR1A (0.54) MTNR1AMTNR1B
SCHEMBL1285244 0.93 MTNR1A (0.64) MTNR1AMTNR1B
SCHEMBL1285058 0.92 MTNR1A (0.68) MTNR1AMTNR1B
SCHEMBL1696502 0.88 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL3433619 0.87 MTNR1A (0.58) MTNR1AMTNR1B
SCHEMBL1285668 0.83 MTNR1A (0.66) MTNR1AMTNR1B
SCHEMBL1696503 0.80 MTNR1A (0.50) MTNR1AMTNR1B
SCHEMBL1285348 0.80 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL1285112 0.79 DPP4 (0.40) MTNR1AMTNR1BMAPT
SCHEMBL1285340 0.79 MTNR1A (0.39) MTNR1AMTNR1BMAPT

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 2 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 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