SCHEMBL9037672

SCHEMBL9037672

COc1cccc2c1C1CN(CCCN3C(=O)CC4(CCCC4)CC3=O)CC1C2

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.56
ADRA1B P35368 3/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1A P35348 2/20 0.50
DRD2 P14416 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
THPO P40225 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
DRD1 P21728 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47

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 0.98 HTR1A (0.58) HTR1AADRA1BADRA1DADRA1ADRD2
Hydrochloric Acid SCHEMBL9043516 0.97 HTR1A (0.57) HTR1AADRA1BADRA1DADRA1ADRD2
SCHEMBL9035223 0.97 HTR1A (0.57) HTR1AADRA1BADRA1DADRA1ADRD2
Hydrochloric Acid SCHEMBL9036002 0.96 HTR1A (0.56) HTR1AADRA1BADRA1DADRA1ADRD2
SCHEMBL9458358 0.93 HTR1A (0.52) HTR1AADRA1BADRA1DADRA1ADRD2
Hydrochloric Acid SCHEMBL9458396 0.92 HTR1A (0.51) HTR1AADRA1BADRA1DADRA1ADRD2
Hydrochloric Acid SCHEMBL9035834 0.91 HTR1A (0.57) HTR1AADRA1BADRA1DADRA1ADRD2
Hydrochloric Acid SCHEMBL9035153 0.91 HTR1A (0.57) HTR1AADRA1BADRA1DADRA1ADRD2
SCHEMBL9458072 0.91 HTR1A (0.54) HTR1AADRA1BADRA1DADRA1ADRD2
Hydrochloric Acid SCHEMBL9458352 0.90 HTR1A (0.53) HTR1AADRA1BADRA1DADRA1ADRD2

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 1 patent. 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