SCHEMBL3670997

SCHEMBL3670997

N[C@H](Cc1ccccc1)C1CO1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
SLC6A2 P23975 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
ANPEP P15144 3/20 0.44
CYP2D6 P10635 1/20 0.44
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
LAP3 P28838 4/20 0.40

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
SCHEMBL5732556 1.00 EPHX1 (0.50) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL3870627 1.00 EPHX1 (0.50) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL4912039 1.00 EPHX1 (0.50) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL1683190 1.00 EPHX1 (0.50) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL1817802 1.00 EPHX1 (0.50) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL6562522 1.00 EPHX1 (0.50) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL2799200 0.88 EPHX1 (0.42) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL10403496 0.86 EPHX1 (0.41) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL4607825 0.84 LTA4H (0.57) SLC6A2MAOASLC6A3SIGMAR1PTGS1
SCHEMBL1817589 0.84 LTA4H (0.57) SLC6A2MAOASLC6A3SIGMAR1PTGS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139337-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN, AND METHODS OF USE THEREOF Trustees Of Tufts College (US) 2010-01-06 EP disclosed
WO-2008116054-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2008-09-25 WO disclosed
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