SCHEMBL9035189

SCHEMBL9035189

COc1cccc2c1C1CN(CCCCN3C(=O)CC(C)(C)CC3=O)CC1C2

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.52
DRD2 P14416 1/20 0.52
HTR2C P28335 1/20 0.52
HTR7 P34969 1/20 0.52
HRH1 P35367 1/20 0.52
HTR2B P41595 1/20 0.52
DRD3 P35462 1/20 0.47
ADRA1D P25100 3/20 0.46
ADRA1A P35348 3/20 0.46
ADRA1B P35368 3/20 0.46

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
SCHEMBL9034117 0.89 HTR1A (0.58) HTR1ADRD2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL9043516 0.88 HTR1A (0.57) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL9035223 0.88 HTR1A (0.57) HTR1ADRD2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL9036002 0.88 HTR1A (0.56) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL9037672 0.87 HTR1A (0.56) HTR1ADRD2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL9034412 0.86 HTR1A (0.47) HTR1ADRD2HTR7DRD3ADRA1D
SCHEMBL9035618 0.83 HTR1A (0.58) HTR1ADRD2HTR7DRD3ADRA1D
SCHEMBL9458072 0.82 HTR1A (0.54) HTR1ADRD2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL9458352 0.81 HTR1A (0.53) HTR1ADRD2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL9458505 0.81 HTR1A (0.53) HTR1ADRD2ADRA1DADRA1AADRA1B

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