SCHEMBL4755058

SCHEMBL4755058

CNc1cc(=O)n(-c2ccsc2)c(C2CCC(C(F)(F)F)CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.34

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
SCHEMBL4755132 0.83 AVPR1A (0.37) MCHR1
SCHEMBL4755137 0.83 AVPR1A (0.37) MCHR1
Hydrochloric Acid SCHEMBL4822238 0.82 AVPR1A (0.37) MCHR1
Hydrochloric Acid SCHEMBL4822247 0.82 AVPR1A (0.37) MCHR1
SCHEMBL13985527 0.81 HSD11B1 (0.36)
SCHEMBL13985514 0.72
SCHEMBL4755594 0.70 DRD1 (0.37)
SCHEMBL4755592 0.70 DRD1 (0.37)
SCHEMBL4755213 0.70 DRD1 (0.40)
SCHEMBL4755215 0.70 DRD1 (0.40)

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
WO-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO claimed
WO-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO disclosed