SCHEMBL5281277

SCHEMBL5281277

NC(=O)N(CCCCC1CCN(c2cccc3c2OCCCC3)CCN1)c1csc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.35
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
DRD2 P14416 3/20 0.32
HTR2A P28223 3/20 0.32

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
SCHEMBL4950012 0.85 HTR1A (0.46) HTR1ADRD2HTR2A
SCHEMBL4950232 0.83 HTR1A (0.46) HTR1ADRD2HTR2A
SCHEMBL4945988 0.83 HTR1A (0.46) HTR1ADRD2HTR2A
SCHEMBL4951238 0.81 HTR1A (0.46) HTR1ADRD2HTR2A
SCHEMBL4945982 0.81 HTR1A (0.44) HTR1ADRD2HTR2A
SCHEMBL4949501 0.80 HTR1A (0.46) HTR1ADRD2HTR2A
SCHEMBL5281270 0.79 ADRA1D (0.34) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL4951024 0.71 HTR1A (0.43) HTR1ADRD2HTR2A
SCHEMBL4945898 0.71 DRD2 (0.42) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL4945969 0.70 HTR7 (0.39) HTR1ADRD2HTR2A

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
EP-1761524-B1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SANOL ARZNEI SCHWARZ GMBH (DE) 2007-11-21 EP disclosed