SCHEMBL7436376

SCHEMBL7436376

Cc1cc2c(cc1C)OC(C(O)CNC1CCNCC1)CO2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.32
MLNR O43193 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
KCNE1 P15382 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CNR1 P21554 1/20 0.32
SLC6A2 P23975 1/20 0.32
NPY1R P25929 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
AVPR2 P30518 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL7431003 0.92 CA2 (0.32)
SCHEMBL7437580 0.88 CA2 (0.35) ADRB2MLNRADRB1HTR1AADRA2A
SCHEMBL7437308 0.87 CA2 (0.38) ADRB2MLNRADRB1HTR1AADRA2A
SCHEMBL7433144 0.87 ADRB2 (0.35) ADRB2MLNRADRB1HTR1AADRA2A
SCHEMBL7434496 0.83 LMNA (0.43) SOS1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL7440937 0.83 CA2 (0.38) ADRB2MLNRADRB1HTR1AADRA2A
SCHEMBL7435524 0.83 CA2 (0.38) ADRB2MLNRADRB1HTR1AADRA2A
SCHEMBL7431324 0.83 CA2 (0.38) ADRB2MLNRADRB1HTR1AADRA2A
SCHEMBL7436853 0.82 MTNR1A (0.43) KMT2ALMNASMN1; SMN2
SCHEMBL7446282 0.82 LMNA (0.41) ADRB2ADRB1KMT2ALMNASMN1; SMN2

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