SCHEMBL9196408

SCHEMBL9196408

O=C(C1CCCCC1)N(CCN1CCN(c2cccc(O)c2)CC1)c1ccccn1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.82
DRD4 P21917 8/20 0.82
ADRA1A P35348 6/20 0.82
ADRA1B P35368 5/20 0.82
HTR7 P34969 3/20 0.82
HTR2B P41595 3/20 0.82
HTR2A P28223 2/20 0.82
SMN1; SMN2 Q16637 3/20 0.68
ADRA1D P25100 3/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
TSHR P16473 1/20 0.65
HTR1B P28222 1/20 0.65
LMNA P02545 2/20 0.60
MEN1 O00255 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL8010894 0.90 HTR1A (1.00) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL27755942 0.88 HTR1A (0.78) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL8013725 0.84 HTR1A (1.00) HTR1ADRD4ADRA1AADRA1BHTR7
Hydrochloric Acid SCHEMBL29989604 0.83 HTR1A (0.98) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL7035122 0.83 HTR1A (0.81) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL16709199 0.82 HTR1A (0.85) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL16709198 0.82 HTR1A (0.85) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL16709197 0.82 HTR1A (0.85) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL14762016 0.81 HTR1A (0.72) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL7956752 0.81 HTR1A (0.74) HTR1ADRD4ADRA1AADRA1BHTR7

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
EP-0686047-A1 5-HT 1A? LIGANDS JOHN WYETH & BROTHER LIMITED (GB) 1995-12-13 EP disclosed
WO-1994019026-A1 5-HT1A LIGANDS JOHN WYETH & BROTHER LIMITED (GB) 1994-09-01 WO disclosed