SCHEMBL7437114

SCHEMBL7437114

OC(CNC1CCNCC1)C1COc2cc(C(F)(F)F)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 6/20 0.35
HTR2C P28335 5/20 0.35
SLC6A3 Q01959 3/20 0.35
MLNR O43193 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
KCNE1 P15382 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CNR1 P21554 1/20 0.35
NPY1R P25929 1/20 0.35
HTR2A P28223 1/20 0.35
AVPR2 P30518 1/20 0.35

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
SCHEMBL7435524 0.84 CA2 (0.38) SLC6A2SLC6A4HTR2CSLC6A3MLNR
SCHEMBL7431324 0.84 CA2 (0.38) SLC6A2SLC6A4HTR2CSLC6A3MLNR
SCHEMBL7433144 0.84 ADRB2 (0.35) SLC6A2SLC6A4HTR2CSLC6A3MLNR
SCHEMBL7434496 0.82 LMNA (0.43) LMNAPOLBMAPTKMT2A
SCHEMBL7437011 0.81 SLC6A4 (0.35) SLC6A2SLC6A4HTR2CSLC6A3MLNR
SCHEMBL7446282 0.81 LMNA (0.41) ADRB2ADRB1KDM1AMAOAMAOB
SCHEMBL7437580 0.80 CA2 (0.35) SLC6A2SLC6A4HTR2CSLC6A3MLNR
SCHEMBL7436376 0.80 ADRB2 (0.32) SLC6A2SLC6A4HTR2CSLC6A3MLNR
SCHEMBL7437308 0.80 CA2 (0.38) SLC6A2SLC6A4HTR2CSLC6A3MLNR
SCHEMBL7440937 0.80 CA2 (0.38) SLC6A2SLC6A4HTR2CSLC6A3MLNR

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