SCHEMBL7309611

SCHEMBL7309611

CC(=O)N1CCC(CCCBr)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.39
EPHX1 P07099 2/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
GNAI3 P08754 2/20 0.39
GNAO1 P09471 2/20 0.39
GNAI1 P63096 2/20 0.39
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL11980475 0.89 EPHX2 (0.35) EPHX2EPHX1ITGB3ITGA2BGNAI3
SCHEMBL3122925 0.89 EPHX2 (0.41) EPHX2EPHX1GNAI3GNAO1GNAI1
SCHEMBL27551163 0.83 ITGB3 (0.43) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL12561511 0.83 POLB (0.51) EPHX2EPHX1ITGB3ITGA2BGNAI3
SCHEMBL7299175 0.83 AKR1C3 (0.45) EPHX2EPHX1ITGB3ITGA2BGNAI3
SCHEMBL3457863 0.81 EPHX2 (0.39) EPHX2EPHX1ITGB3ITGA2BGNAI3
SCHEMBL13597080 0.81 GNAI3 (0.53) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL26263461 0.81 GNAI3 (0.53) EPHX2EPHX1ITGB3ITGA2BGNAI3
SCHEMBL12747180 0.80 EPHX2 (0.43) EPHX2EPHX1CYP1A2TDP1
SCHEMBL5013505 0.80 ITGB3 (0.41) EPHX2EPHX1ITGB3ITGA2BGNAI3

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-0479601-B1 Piperidine derivatives and their use as antiarrhythmic agents AJINOMOTO KK (JP) 1999-12-15 EP disclosed
EP-0479601-A2 Piperidine derivatives and their use as antiarrhythmic agents Ajinomoto Co., Inc. (JP) 1992-04-08 EP disclosed