SCHEMBL4485246

SCHEMBL4485246

Cc1cccc(CN[C@H]2CCN(C(=O)O)C2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.43
ACHE P22303 6/20 0.43
BACE1 P56817 6/20 0.43
CD274 Q9NZQ7 2/20 0.42
PDCD1LG2 Q9BQ51 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
TEAD1 P28347 2/20 0.40
CCR3 P51677 1/20 0.38
EPHX2 P34913 1/20 0.38
LTA4H P09960 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
PDCD1 Q15116 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4485008 0.88 P2RX7 (0.45) BCHEACHEBACE1CD274PDCD1LG2
SCHEMBL5437369 0.86 SIGMAR1 (0.44) BCHEACHEBACE1CD274PDCD1LG2
SCHEMBL4687118 0.85 SCN9A (0.47) L3MBTL1
SCHEMBL6112140 0.85 SCN9A (0.47) L3MBTL1
SCHEMBL18919696 0.78 BCHE (0.46) BCHEACHEBACE1TEAD1LTA4H
SCHEMBL18919693 0.78 BCHE (0.46) BCHEACHEBACE1TEAD1LTA4H
SCHEMBL696022 0.77 GLA (0.45) BCHEACHEBACE1CD274POLB
SCHEMBL5505247 0.77 SLC6A2 (0.52) BCHEACHEBACE1TEAD1LTA4H
SCHEMBL4477584 0.76 BCHE (0.58) BCHEACHEBACE1EPHX2SIGMAR1
SCHEMBL5508297 0.75 BCHE (0.42) BCHEACHEBACE1TEAD1EPHX2

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
US-7619096-B2 3-Aminopyrrolidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed