SCHEMBL7440937

SCHEMBL7440937

OC(CNC1CCNCC1)C1COc2ccc(Cl)cc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
HTR2C P28335 2/20 0.34
ADRA1A P35348 2/20 0.34
DRD3 P35462 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
MLNR O43193 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 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
NPY1R P25929 1/20 0.34
HTR2A P28223 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
SCHEMBL7431324 0.96 CA2 (0.38) CA2HTR1ADRD2HTR2CADRA1A
SCHEMBL7437580 0.87 CA2 (0.35) CA2HTR1ADRD2HTR2CADRA1A
SCHEMBL7437308 0.87 CA2 (0.38) CA2HTR1ADRD2HTR2CADRA1A
SCHEMBL7434496 0.85 LMNA (0.43) KMT2ASOS1
SCHEMBL7436853 0.84 MTNR1A (0.43) FFAR1KMT2A
SCHEMBL7436376 0.83 ADRB2 (0.32) HTR1ADRD2HTR2CADRA1ADRD3
SCHEMBL7431003 0.83 CA2 (0.32) CA2
SCHEMBL7433144 0.82 ADRB2 (0.35) CA2HTR1ADRD2HTR2CADRA1A
SCHEMBL7435524 0.82 CA2 (0.38) CA2HTR1ADRD2HTR2CADRA1A
SCHEMBL7440923 0.81 THRA (0.37) SLC6A4ADRB2ADRB1FFAR1MEN1

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