SCHEMBL9035277

SCHEMBL9035277

O=C1CC2(CCCC2)CC(=O)N1CCCCN1CC2Cc3ccc(Cl)c(O)c3C2C1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.52
ADRA1B P35368 7/20 0.52
ADRA1A P35348 4/20 0.52
ADRA1D P25100 1/20 0.45

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
Bromide SCHEMBL9037158 0.99 HTR1A (0.52) HTR1AADRA1BADRA1AADRA1D
SCHEMBL9034851 0.86 HTR1A (0.48) HTR1AADRA1BADRA1A
SCHEMBL9035193 0.84 HTR1A (0.47) HTR1AADRA1AADRA1D
SCHEMBL9036829 0.82 HTR1A (0.47) HTR1AADRA1D
SCHEMBL9034117 0.78 HTR1A (0.58) HTR1AADRA1BADRA1AADRA1D
SCHEMBL9035223 0.77 HTR1A (0.57) HTR1AADRA1BADRA1AADRA1D
Hydrochloric Acid SCHEMBL9043516 0.77 HTR1A (0.57) HTR1AADRA1BADRA1AADRA1D
SCHEMBL9457777 0.77 HTR1A (0.45) HTR1AADRA1BADRA1AADRA1D
Hydrochloric Acid SCHEMBL9036002 0.76 HTR1A (0.56) HTR1AADRA1BADRA1AADRA1D
SCHEMBL9037672 0.76 HTR1A (0.56) HTR1AADRA1BADRA1AADRA1D

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-0422134-B1 5-HT SELECTIVE AGENTS ABBOTT LAB (US) 1996-06-12 EP claimed
EP-0422134-B1 5-HT SELECTIVE AGENTS ABBOTT LAB (US) 1996-06-12 EP disclosed