SCHEMBL8344822

SCHEMBL8344822

O=C1C[C@H]2CCCCC[C@@H]12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
MT-CO2 P00403 1/20 0.32
ALOX5 P09917 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL7014493 1.00 KMT2A (0.36) KMT2AMAPTALDH1A1NOS3NOS1
SCHEMBL13193340 1.00 KMT2A (0.36) KMT2AMAPTALDH1A1NOS3NOS1
SCHEMBL426485 1.00 KMT2A (0.36) KMT2AMAPTALDH1A1NOS3NOS1
SCHEMBL9655502 1.00 KMT2A (0.36) KMT2AMAPTALDH1A1NOS3NOS1
SCHEMBL13451210 0.97
SCHEMBL8344751 0.97
SCHEMBL3156646 0.97
SCHEMBL13450788 0.97
SCHEMBL13451146 0.92
SCHEMBL3152983 0.92

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-1379494-B1 FUSED BICYCLIC OR TRICYCLIC AMINO ACIDS WARNER LAMBERT CO (US) 2010-03-10 EP disclosed
WO-2004016260-A1 THERAPEUTIC USE OF FUSED BICYCLIC OR TRICYCLIC AMINO ACIDS PFIZER LIMITED (GB) 2004-02-26 WO disclosed