SCHEMBL4238784

SCHEMBL4238784

O=C(OC(=O)C1CNCC1c1cccc(Br)c1)C1CNCC1c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.45
KDM1A O60341 2/20 0.40
BACE1 P56817 1/20 0.39
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
HDAC4 P56524 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
F2RL1 P55085 1/20 0.36

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
SCHEMBL4238804 0.87 ROCK2 (0.46) ROCK2KDM1ABACE1MAPTPKM
SCHEMBL4238780 0.87 ROCK2 (0.46) ROCK2KDM1ABACE1MAPTPKM
SCHEMBL321174 0.84 SLC6A4 (0.50) ROCK2KDM1ASLC6A4SLC6A3ALDH1A1
SCHEMBL321175 0.84 SLC6A4 (0.50) ROCK2KDM1ASLC6A4SLC6A3ALDH1A1
SCHEMBL320857 0.84 SLC6A4 (0.50) ROCK2KDM1ASLC6A4SLC6A3ALDH1A1
SCHEMBL1817686 0.81 ROCK2 (0.49) ROCK2KDM1ABACE1SLC6A4SLC6A3
SCHEMBL29352411 0.81 ROCK2 (0.49) ROCK2KDM1ABACE1SLC6A4SLC6A3
SCHEMBL1817691 0.81 ROCK2 (0.49) ROCK2KDM1ABACE1SLC6A4SLC6A3
SCHEMBL1817689 0.81 ROCK2 (0.49) ROCK2KDM1ABACE1SLC6A4SLC6A3
SCHEMBL15528627 0.78 ROCK2 (0.32) ROCK2BACE1SLC6A4SLC6A3MAPT

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-2038653-A2 SUBSTRATES AND INHIBITORS OF ANTIPLASMIN CLEAVING ENZYME AND METHODS OF USE McKee, Patrick A. (US) 2009-03-25 EP disclosed
WO-2007146104-A2 SUBSTRATES AND INHIBITORS OF ANTIPLASMIN CLEAVING ENZYME AND METHODS OF USE MCKEE PATRICK A (US) 2007-12-21 WO disclosed