SCHEMBL4690565

SCHEMBL4690565

CC(C)CN(Cc1ccccc1Cc1ccccn1)[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.41
SLC6A4 P31645 9/20 0.41
SLC6A3 Q01959 7/20 0.41
CACNA1B Q00975 1/20 0.38
OPRM1 P35372 1/20 0.38
MC4R P32245 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MCHR1 Q99705 1/20 0.36
PTPRA P18433 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
SCHEMBL4487330 0.87 USP30 (0.44) CACNA1BMEN1KMT2A
SCHEMBL4500367 0.81 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL4477759 0.78 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3MCHR1
SCHEMBL4472743 0.78 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL4487331 0.78 CYP1A2 (0.37) SLC6A2SLC6A4SLC6A3OPRM1MC4R
SCHEMBL4482940 0.78 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3OPRM1MEN1
SCHEMBL4485498 0.77 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL5127330 0.73 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3
SCHEMBL29243353 0.68 MEN1 (0.50) OPRM1MEN1KMT2A
SCHEMBL5734230 0.67 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3

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
EP-1638934-B1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE LILLY CO ELI (US) 2008-01-09 EP disclosed
EP-1638934-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000811-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-01-06 WO disclosed