SCHEMBL13987263

SCHEMBL13987263

CN(CCCCC(=O)c1cc2c3c(c1)CCN3C(=O)CC2)CCc1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.49
DRD2 P14416 2/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HRH1 P35367 2/20 0.49
DRD3 P35462 2/20 0.49
HTR6 P50406 2/20 0.49
KCNH2 Q12809 2/20 0.49
DRD1 P21728 1/20 0.49
ACHE P22303 3/20 0.49
ADRA1A P35348 1/20 0.48
SIGMAR1 Q99720 1/20 0.45
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL13987291 0.99 HTR1A (0.49) HTR1ADRD2HTR2AHTR2CHRH1
Hydrochloric Acid SCHEMBL4853332 0.99 HTR1A (0.49) HTR1ADRD2HTR2AHTR2CHRH1
Hydrochloric Acid SCHEMBL4852128 0.98 HTR1A (0.48) HTR1ADRD2HTR2AHTR2CHRH1
SCHEMBL13987700 0.95 ACHE (0.50) HTR1ADRD2HTR2AHTR2CHRH1
Hydrochloric Acid SCHEMBL4854005 0.94 ACHE (0.49) HTR1ADRD2HTR2AHTR2CHRH1
SCHEMBL13987345 0.94 ACHE (0.49) HTR1ADRD2HTR2AHTR2CHRH1
Hydrochloric Acid SCHEMBL4861515 0.93 ACHE (0.49) HTR1ADRD2HTR2AHTR2CHRH1
SCHEMBL13987313 0.90 NPC1 (0.50) ACHESIGMAR1
SCHEMBL6035333 0.89 ACHE (0.57) HTR1ADRD2HTR2AHTR2CHRH1
SCHEMBL4863050 0.89 ACHE (0.49) HTR1ADRD2HTR2AHTR2CHRH1

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