SCHEMBL13987459

SCHEMBL13987459

O=C(CCCCNCCc1c(Cl)cccc1Cl)c1cc2c3c(c1)CCN3C(=O)CC2

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.48
NPC1 O15118 1/20 0.43
TTR P02766 1/20 0.43
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
HTR6 P50406 1/20 0.41
KCNH2 Q12809 1/20 0.41

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 SCHEMBL4863003 0.99 ACHE (0.47) ACHENPC1TTRHTR1ADRD2
SCHEMBL13987248 0.90 ACHE (0.49) ACHENPC1TTR
Hydrochloric Acid SCHEMBL4863292 0.89 ACHE (0.49) ACHENPC1TTR
SCHEMBL13987282 0.89 ACHE (0.49) ACHENPC1TTR
Hydrochloric Acid SCHEMBL4862894 0.88 ACHE (0.48) ACHENPC1TTR
SCHEMBL13987454 0.88 ACHE (0.52) ACHENPC1TTRHTR1ADRD2
Hydrochloric Acid SCHEMBL4862482 0.87 ACHE (0.51) ACHENPC1TTRHTR1ADRD2
SCHEMBL13987453 0.85 ACHE (0.48) ACHENPC1TTRHTR1ADRD2
SCHEMBL4859252 0.85 ACHE (0.57) ACHEHTR1ADRD2DRD1HTR2A
Hydrochloric Acid SCHEMBL4853188 0.85 ACHE (0.48) ACHENPC1TTRHTR1ADRD2

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