SCHEMBL4608897

SCHEMBL4608897

N[C@H](CCc1ccccc1)C1CO1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.43
ERAP1 Q9NZ08 2/20 0.43
ERAP2 Q6P179 1/20 0.43
TAAR1 Q96RJ0 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2A6 P11509 1/20 0.39
HTR2A P28223 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
EPHX1 P07099 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL1818191 1.00 ANPEP (0.43) ANPEPERAP1ERAP2TAAR1MEN1
SCHEMBL3670997 0.81 EPHX1 (0.50) ANPEPTAAR1CYP2A6EPHX1SLC6A2
SCHEMBL5732556 0.81 EPHX1 (0.50) ANPEPTAAR1CYP2A6EPHX1SLC6A2
SCHEMBL4912039 0.81 EPHX1 (0.50) ANPEPTAAR1CYP2A6EPHX1SLC6A2
SCHEMBL1683190 0.81 EPHX1 (0.50) ANPEPTAAR1CYP2A6EPHX1SLC6A2
SCHEMBL6562522 0.81 EPHX1 (0.50) ANPEPTAAR1CYP2A6EPHX1SLC6A2
SCHEMBL1817802 0.81 EPHX1 (0.50) ANPEPTAAR1CYP2A6EPHX1SLC6A2
SCHEMBL3870627 0.81 EPHX1 (0.50) ANPEPTAAR1CYP2A6EPHX1SLC6A2
SCHEMBL3134409 0.80 ANPEP (0.42) ANPEPERAP1ERAP2TAAR1CYP2A6
SCHEMBL11246640 0.78 KDM4E (0.45) MEN1KMT2A

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-1948243-A2 POLYCATION-POLYANION COMPLEXES, COMPOSITIONS AND METHODS OF USE THEREOF Aeris Therapeutics, Inc. (US) 2008-07-30 EP disclosed
WO-2007055950-A2 POLYCATION-POLYANION COMPLEXES, COMPOSITIONS AND METHODS OF USE THEREOF AERIS THERAPEUTICS, INC. (US) 2007-05-18 WO disclosed