SCHEMBL6960599

SCHEMBL6960599

OC1CCCC(c2ccc3[nH]cc(CCN4CCCC4)c3c2)C1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.56
HTR1D P28221 12/20 0.56
HTR1B P28222 10/20 0.56
HTR2A P28223 3/20 0.52
BRD4 O60885 1/20 0.48

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
SCHEMBL6962933 0.86 HTR1D (0.69) MPOHTR1DHTR1BHTR2ABRD4
SCHEMBL6974697 0.82 MPO (0.60) MPOHTR1DHTR1BHTR2ABRD4
SCHEMBL6964363 0.81 MPO (0.59) MPOHTR1DHTR1BHTR2ABRD4
SCHEMBL7007317 0.81 MPO (0.54) MPOHTR1DHTR1BHTR2ABRD4
SCHEMBL6960595 0.81 SLC6A4 (0.59) HTR1DHTR2A
SCHEMBL6968099 0.77 HTR1D (0.55) MPOHTR1DHTR1BHTR2A
SCHEMBL27095364 0.75 HTR7 (0.71) MPOHTR1DHTR1BHTR2A
SCHEMBL6966978 0.75 MPO (0.57) MPOHTR1DHTR1BHTR2ABRD4
SCHEMBL6970059 0.74 MPO (0.56) MPOHTR1DHTR1BHTR2ABRD4
SCHEMBL26989598 0.74 HTR7 (0.70) MPOHTR1DHTR1BHTR2A

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-0944595-B1 5-CYCLO INDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS NPS ALLELIX CORP (CA) 2003-10-01 EP claimed