SCHEMBL5804389

SCHEMBL5804389

CC(C)Oc1ccc(N2CCC(Oc3cccnc3N3CCN(C)CC3)C2=O)cc1.CN1CCN(c2ncccc2OC2CCN(c3ccc(-c4ccncc4)cc3)C2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.45
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 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
SCHEMBL5790113 0.94 LMNA (0.40) MCHR1ROCK2ROCK1
SCHEMBL5762922 0.92 MCHR1 (0.47) MCHR1ROCK2
SCHEMBL5846949 0.84 PDE10A (0.39) MCHR1ROCK2
SCHEMBL5846345 0.82 EGLN1 (0.39) MCHR1ROCK2
SCHEMBL5760136 0.81 ROCK2 (0.51) MCHR1ROCK2
SCHEMBL5847025 0.81 MCHR1 (0.48) MCHR1ROCK2ROCK1
SCHEMBL5762721 0.81 MCHR1 (0.48) MCHR1ROCK2ROCK1
SCHEMBL5761129 0.80 MCHR1 (0.45) MCHR1
SCHEMBL5759920 0.79 TRPV1 (0.42) MCHR1ROCK2
SCHEMBL5763136 0.79 MCHR1 (0.47) MCHR1ROCK2

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-1638932-A1 NOVEL PIPERAZINYL-ARYLOXY AND PIPERAZINYL-HETEROARYLOXY-N-ARYL LACTAMS Pfizer Products Inc. (US) 2006-03-29 EP disclosed
WO-2004110994-A1 NOVEL PIPERAZINYL-ARYLOXY AND PIPERAZINYL-HETEROARYLOXY-N-ARYL LACTAMS PFIZER PRODUCTS INC. (US) 2004-12-23 WO disclosed