SCHEMBL4690644

SCHEMBL4690644

CCCCN1CCC(NCc2ccccc2C(F)(F)F)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.46
BCHE P06276 6/20 0.46
ACHE P22303 6/20 0.46
BACE1 P56817 6/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
MRGPRX1 Q96LB2 1/20 0.43
POLB P06746 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
SCHEMBL16269299 0.81 KDM4E (0.55) SIGMAR1BCHEACHEBACE1KDM4E
SCHEMBL28249235 0.79 ACHE (0.68) BCHEACHEBACE1CARM1PRMT6
SCHEMBL5759514 0.78 BCHE (0.48) BCHEACHEBACE1CARM1PRMT6
SCHEMBL16268490 0.78 KDM4E (0.52) SIGMAR1KDM4EALDH1A1CARM1PRMT6
SCHEMBL5560421 0.76 MRGPRX1 (0.51) SIGMAR1KDM4EALDH1A1MRGPRX1
SCHEMBL6188507 0.76 MRGPRX1 (0.48) SIGMAR1BCHEACHEBACE1KDM4E
SCHEMBL3166277 0.75 KDM4E (0.52) SIGMAR1BCHEACHEBACE1KDM4E
SCHEMBL8581376 0.75 ACHE (0.66) BCHEACHEBACE1CARM1PRMT6
Fumaric Acid SCHEMBL6187283 0.75 SIGMAR1 (0.54) SIGMAR1BCHEACHEBACE1KDM4E
Fumaric Acid SCHEMBL6187286 0.75 SIGMAR1 (0.54) SIGMAR1BCHEACHEBACE1KDM4E

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
EP-1638934-B1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE LILLY CO ELI (US) 2008-01-09 EP disclosed