SCHEMBL9356307

SCHEMBL9356307

O=C(OCc1ccccc1)[C@H]1C[C@@H](C(=O)OCc2ccccc2)N1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
FKBP1A P62942 8/20 0.54
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL9352186 1.00 ALDH1A1 (0.54) ALDH1A1FKBP1AFABP7FABP5TDP1
SCHEMBL9352202 0.96 FKBP1A (0.51) ALDH1A1FKBP1AFABP7FABP5TDP1
SCHEMBL9352606 0.93 FKBP1A (0.49) ALDH1A1FKBP1AFABP7FABP5TDP1
SCHEMBL9352588 0.93 FKBP1A (0.49) ALDH1A1FKBP1AFABP7FABP5TDP1
SCHEMBL9352596 0.93 FKBP1A (0.49) ALDH1A1FKBP1AFABP7FABP5TDP1
SCHEMBL9352930 0.93 FKBP1A (0.49) ALDH1A1FKBP1AFABP7FABP5TDP1
SCHEMBL9352909 0.91 KMT2A (0.50) ALDH1A1FKBP1ATDP1L3MBTL1KMT2A
SCHEMBL9356467 0.91 KMT2A (0.50) ALDH1A1FKBP1ATDP1L3MBTL1KMT2A
SCHEMBL9356472 0.91 KMT2A (0.50) ALDH1A1FKBP1ATDP1L3MBTL1KMT2A
SCHEMBL9356134 0.87 ALDH1A1 (0.47) ALDH1A1FKBP1AFABP7FABP5TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014011863-A1 METHOD OF TREATMENT WITH 3-CYCLOPROPYLCARBONYL-3,6-DIAZABICYCLO[3.1.1]HEPTANE TARGACEPT, INC. (US) 2014-01-16 WO disclosed
WO-2012125518-A1 SALT FORMS OF 3 - CYCLOPROPYLCARBONYL - 3, 6 - DIAZABICYCLO [3.1.1] HEPTANE TARGACEPT, INC. (US) 2012-09-20 WO disclosed
EP-0299513-B1 Azetidine derivatives, compositions and their use FIDIA GEORGETOWN INST (US) 1994-10-05 EP disclosed
US-4990504-A Modulate excitatory amino acid receptor system FIDIA-GEORGETOWN INSTITUTE FOR THE NEUROSCIENCES (US) 1991-02-05 US disclosed
US-4946839-A ALZHEIMER'S DISEASE FIDIA-GEORGETOWN INSTITUTE FOR THE NEUROSCIENCES (US) 1990-08-07 US disclosed
EP-0299513-A1 Azetidine derivatives, compositions and their use FIDIA-GEORGETOWN INSTITUTE FOR THE NEUROSCIENCES (US) 1989-01-18 EP disclosed