SCHEMBL7435524

SCHEMBL7435524

OC(CNC1CCNCC1)C1COc2cc(Br)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
SLC6A4 P31645 2/20 0.34
MLNR O43193 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
KCNE1 P15382 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CNR1 P21554 1/20 0.34
SLC6A2 P23975 1/20 0.34
NPY1R P25929 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
AVPR2 P30518 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL7433144 0.87 ADRB2 (0.35) CA2SLC6A4MLNRADRB2ADRB1
SCHEMBL7431324 0.87 CA2 (0.38) CA2SLC6A4MLNRADRB2ADRB1
SCHEMBL7434496 0.85 LMNA (0.43) SOS1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL7437114 0.84 MAPK1 (0.37) SLC6A4MLNRADRB2ADRB1HTR1A
SCHEMBL7437011 0.84 SLC6A4 (0.35) SLC6A4MLNRADRB2ADRB1HTR1A
SCHEMBL7446282 0.84 LMNA (0.41) ADRB2ADRB1KMT2ALMNASMN1; SMN2
SCHEMBL7436376 0.83 ADRB2 (0.32) SLC6A4MLNRADRB2ADRB1HTR1A
SCHEMBL7437580 0.83 CA2 (0.35) CA2SLC6A4MLNRADRB2ADRB1
SCHEMBL7440937 0.82 CA2 (0.38) CA2SLC6A4MLNRADRB2ADRB1
SCHEMBL7437308 0.82 CA2 (0.38) CA2SLC6A4MLNRADRB2ADRB1

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
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed