SCHEMBL13987697

SCHEMBL13987697

O=C(CCCCCN1CCc2ccccc2CC1)c1cc2c3c(c1)CCN3C(=O)CC2

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.56
DRD2 P14416 4/20 0.56
HTR2A P28223 4/20 0.56
HRH1 P35367 4/20 0.56
DRD3 P35462 4/20 0.56
HTR2C P28335 3/20 0.56
HTR6 P50406 2/20 0.56
KCNH2 Q12809 2/20 0.56
ACHE P22303 1/20 0.56
DRD1 P21728 1/20 0.56
ADRA1A P35348 1/20 0.52
HTR7 P34969 2/20 0.52
HTR2B P41595 2/20 0.52
SLC6A4 P31645 1/20 0.51

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
Hydrochloric Acid SCHEMBL4858434 0.99 HTR1A (0.55) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL13987693 0.99 ACHE (0.57) HTR1ADRD2HTR2AHRH1DRD3
Hydrochloric Acid SCHEMBL4857194 0.98 HTR1A (0.56) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL13987649 0.94 HTR1A (0.61) HTR1ADRD2HTR2AHRH1DRD3
Hydrochloric Acid SCHEMBL4851982 0.93 HTR1A (0.60) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL13987359 0.91 ACHE (0.56) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL13987356 0.90 HTR1A (0.55) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL4858462 0.89 HTR1A (0.56) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL13987691 0.85 HTR1A (0.60) HTR1ADRD2HTR2AHRH1DRD3
Hydrochloric Acid SCHEMBL4859353 0.84 HTR1A (0.61) HTR1ADRD2HTR2AHRH1DRD3

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
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed