SCHEMBL6872087

SCHEMBL6872087

C[C@@H]1CN(C(=O)c2nc3ccccc3[nH]2)[C@H](C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.51
PARP1 P09874 2/20 0.45
PDE10A Q9Y233 12/20 0.44
RBP4 P02753 1/20 0.42

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
SCHEMBL1930654 0.86 PARP1 (0.52) HRH4PARP1PDE10ARBP4
SCHEMBL2236950 0.79 HRH4 (0.69) HRH4PARP1PDE10ARBP4
SCHEMBL6874575 0.77 HRH4 (0.55) HRH4PDE10A
SCHEMBL30396672 0.74 HRH4 (0.47) HRH4PDE10A
SCHEMBL15064410 0.74 PDE10A (0.59) HRH4PDE10ARBP4
SCHEMBL27552206 0.74 XDH (0.52) HRH4
SCHEMBL7465456 0.73 PDE10A (0.56) HRH4PARP1PDE10ARBP4
SCHEMBL26384460 0.72 YAP1 (0.41) PARP1
SCHEMBL2227562 0.72 DRD2 (0.42) HRH4PDE10A
SCHEMBL24067409 0.72 HTR2B (0.59) PDE10A

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