SCHEMBL8048742

SCHEMBL8048742

c1cc2c(c3c1CCCC3)OC(CNCCCNC1=NCCCN1)CC2

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.70
HTR1D P28221 20/20 0.70

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
SCHEMBL8045482 0.98 HTR1A (0.70) HTR1AHTR1D
SCHEMBL8046968 0.93 HTR1A (0.67) HTR1AHTR1D
SCHEMBL8035107 0.89 HTR1A (0.68) HTR1AHTR1D
SCHEMBL8049473 0.85 HTR1A (0.68) HTR1AHTR1D
Alniditan SCHEMBL717887 0.82 HTR1A (1.00) HTR1AHTR1D
Alniditan SCHEMBL717888 0.82 HTR1A (1.00) HTR1AHTR1D
Alniditan SCHEMBL29412188 0.82 HTR1A (1.00) HTR1AHTR1D
Alniditan SCHEMBL7918206 0.81 HTR1A (0.98) HTR1AHTR1D
Alniditan SCHEMBL7918202 0.81 HTR1A (0.98) HTR1AHTR1D
SCHEMBL6049991 0.81 HTR1A (0.66) HTR1AHTR1D

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
US-6100268-A MIGRAINES JANSSEN PHARMACEUTICA, N.V. (BE) 2000-08-08 US disclosed