SCHEMBL27779013

SCHEMBL27779013

O=CC1NCC(c2ccccc2)CC1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.38
GBA1 P04062 1/20 0.37
HTR2C P28335 1/20 0.34
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL19995526 0.72 HDAC2 (0.45) HDAC2GBA1
SCHEMBL27909987 0.72 HDAC2 (0.45) HDAC2GBA1
Hydrochloric Acid SCHEMBL19995976 0.70 HDAC2 (0.44) HDAC2GBA1
SCHEMBL8651985 0.68 GBA1 (0.40) GBA1
SCHEMBL8219841 0.66 GBA1 (0.54) GBA1
SCHEMBL2817620 0.66 DDB1 (0.45) HDAC8
SCHEMBL8512642 0.65 HDAC2 (0.49) HDAC2
SCHEMBL8514600 0.65 HDAC2 (0.49) HDAC2
SCHEMBL29164408 0.64 SLC18A3 (0.41) HDAC2
Hydrochloric Acid SCHEMBL9543359 0.64 HDAC2 (0.48) HDAC2

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
CN-101679255-A The piperidines ketone that is used for inflammation treatment BIOLIPOX AB 2010-03-24 CN disclosed
CN-101679254-A The piperidines ketone that is used for inflammation treatment BIOLIPOX AB 2010-03-24 CN disclosed