SCHEMBL7012887

SCHEMBL7012887

CN1CCC[C@H]1Cc1c[nH]c2ccc(C3=C[C@@H]4CCCN4CC3)cc12

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 17/20 0.61
HTR1D P28221 15/20 0.61
HTR1A P08908 2/20 0.58
HTR6 P50406 3/20 0.57

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
SCHEMBL7006019 1.00 HTR1B (0.61) HTR1BHTR1DHTR1AHTR6
SCHEMBL7012884 1.00 HTR1B (0.61) HTR1BHTR1DHTR1AHTR6
SCHEMBL7011467 1.00 HTR1B (0.61) HTR1BHTR1DHTR1AHTR6
SCHEMBL7880763 0.89 HTR1B (0.47) HTR1BHTR1DHTR1AHTR6
SCHEMBL7006008 0.82 HTR1D (0.62) HTR1BHTR1D
SCHEMBL7008669 0.81 HTR1D (0.61) HTR1BHTR1DHTR1AHTR6
SCHEMBL7008663 0.81 HTR1D (0.61) HTR1BHTR1DHTR1AHTR6
SCHEMBL7010803 0.80 HTR1B (0.62) HTR1BHTR1DHTR1A
SCHEMBL7011873 0.80 HTR1B (0.62) HTR1BHTR1DHTR1A
SCHEMBL7008355 0.80 HTR1B (0.62) HTR1BHTR1DHTR1A

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-1098896-B1 5-BICYCLOINDOLE COMPOUNDS NPS ALLELIX CORP (CA) 2003-06-25 EP disclosed