SCHEMBL6876529

SCHEMBL6876529

C[C@@H]1CN(C(=O)C(NC(=O)C2Cc3ccccc3N2)C(C)(C)C)CCN1C(=O)c1nc2ccccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.42
SMYD3 Q9H7B4 1/20 0.40
PDE10A Q9Y233 14/20 0.39
RBP4 P02753 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
SCHEMBL6873804 0.80 HRH4 (0.43) HRH4SMYD3PDE10A
SCHEMBL2227969 0.73 HRH4 (0.45) HRH4SMYD3PDE10ARBP4
SCHEMBL2227562 0.69 DRD2 (0.42) HRH4SMYD3PDE10A
SCHEMBL8002379 0.69 GAA (0.40) SMYD3
SCHEMBL25877347 0.69 GAA (0.40)
SCHEMBL3224952 0.68 HRH4 (0.45) HRH4SMYD3PDE10ARBP4
SCHEMBL25664269 0.67 GAA (0.37) SMYD3
SCHEMBL7943730 0.67 HRH4 (0.42) HRH4PDE10A
SCHEMBL6876456 0.67 HRH4 (0.53) HRH4SMYD3PDE10ARBP4
SCHEMBL6872087 0.66 HRH4 (0.51) HRH4PDE10ARBP4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011091410-A1 TRPV4 ANTAGONISTS GLAXOS SMITHKLINE LLC (US) 2011-07-28 WO disclosed