SCHEMBL5757964

SCHEMBL5757964

CC(C)Oc1ccc(N2CCC(Oc3ncccc3N3CCN(C)CC3)C2=O)cc1.CN1CCN(c2cccnc2OC2CCN(c3ccc(C(C)(C)C)cc3)C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.38
P2RY1 P47900 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL5846345 0.94 EGLN1 (0.39) MCHR1EGLN1HDAC8HDAC6ADRA1D
SCHEMBL5847052 0.92 P2RY1 (0.40) MCHR1P2RY1TRPV1
SCHEMBL5844743 0.83 KMT2A (0.38) MCHR1P2RY1ADRA1DADRA1AADRA1B
SCHEMBL5846949 0.81 PDE10A (0.39) MCHR1HDAC8HDAC6
SCHEMBL5790113 0.81 LMNA (0.40) MCHR1EGLN1HDAC8HDAC6
SCHEMBL5763136 0.80 MCHR1 (0.47) MCHR1
SCHEMBL5845590 0.79 MCHR1 (0.40) MCHR1TRPV1
SCHEMBL5759920 0.79 TRPV1 (0.42) MCHR1P2RY1TRPV1
SCHEMBL5845894 0.78 KDM4E (0.41)
SCHEMBL5804389 0.77 MCHR1 (0.45) MCHR1

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