SCHEMBL13987693

SCHEMBL13987693

O=C(CCCCN1CCc2ccccc2CC1)c1cc2c3c(c1)CCN3C(=O)CC2

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.57
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
DRD1 P21728 1/20 0.56
ADRA1A P35348 1/20 0.53
HTR7 P34969 2/20 0.53
HTR2B P41595 2/20 0.53
SLC6A4 P31645 1/20 0.52

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 SCHEMBL4857194 0.99 HTR1A (0.56) ACHEHTR1ADRD2HTR2AHRH1
SCHEMBL13987697 0.99 HTR1A (0.56) ACHEHTR1ADRD2HTR2AHRH1
Hydrochloric Acid SCHEMBL4858434 0.98 HTR1A (0.55) ACHEHTR1ADRD2HTR2AHRH1
SCHEMBL13987649 0.95 HTR1A (0.61) ACHEHTR1ADRD2HTR2AHRH1
Hydrochloric Acid SCHEMBL4851982 0.94 HTR1A (0.60) ACHEHTR1ADRD2HTR2AHRH1
SCHEMBL13987359 0.92 ACHE (0.56) ACHEHTR1ADRD2HTR2AHRH1
SCHEMBL4858462 0.90 HTR1A (0.56) ACHEHTR1ADRD2HTR2AHRH1
SCHEMBL13987356 0.89 HTR1A (0.55) ACHEHTR1ADRD2HTR2AHRH1
SCHEMBL13987691 0.86 HTR1A (0.60) ACHEHTR1ADRD2HTR2AHRH1
Hydrochloric Acid SCHEMBL4859353 0.85 HTR1A (0.61) ACHEHTR1ADRD2HTR2AHRH1

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