SCHEMBL9527587

SCHEMBL9527587

c1cc2c(c(OC[C@@H]3CNCCO3)c1)NCCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.57
SLC6A4 P31645 4/20 0.57
SLC6A2 P23975 2/20 0.57
HTR2B P41595 2/20 0.57
SLC6A3 Q01959 2/20 0.57
ADRB2 P07550 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA1A P35348 1/20 0.57
ADRA2C P18825 1/20 0.57
HRH1 P35367 1/20 0.54
OPRD1 P41143 1/20 0.54
OPRK1 P41145 1/20 0.54
HTR3A P46098 1/20 0.54
SRC P12931 1/20 0.44
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42

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
SCHEMBL9527580 1.00 HTR2A (0.57) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL8432284 0.84 HTR2A (0.66) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL21254625 0.84 HTR2A (0.66) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL9367510 0.82 HTR2A (0.55) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL9367505 0.82 HTR2A (0.55) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL9367603 0.80 HTR2A (0.58) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL9367599 0.80 HTR2A (0.58) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL9371171 0.80 HTR2A (0.74) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL9371168 0.80 HTR2A (0.74) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL10629339 0.80 HRH3 (0.43) SRC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0286495-B1 MORPHOLINE DERIVATIVES, THEIR PROCESS OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1993-05-12 EP claimed
US-4782054-A ANTIISCHEMIC, ANTIHYPOXIC, STIMULANTS ADIR ET COMPAGNIE (FR) 1988-11-01 US claimed
US-5026701-A Antiischaemic agent, antidepressants, for treating cerebral aging ADIR ET COMPAGNIE (FR) 1991-06-25 US disclosed
US-4782054-A ANTIISCHEMIC, ANTIHYPOXIC, STIMULANTS ADIR ET COMPAGNIE (FR) 1988-11-01 US disclosed