SCHEMBL7300352

SCHEMBL7300352

CC1CC(=O)NN=C1c1cccc(OCCNCC(O)COc2cccc3c2CCC(=O)N3)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.51
ADRB2 P07550 1/20 0.51
HTR1A P08908 1/20 0.51
OPRK1 P41145 1/20 0.51
PDE3A Q14432 9/20 0.43
PDE3B Q13370 8/20 0.43
ADRB3 P13945 1/20 0.40
GPR119 Q8TDV5 3/20 0.40
GRK3 P35626 1/20 0.38
PDE4B Q07343 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL7306614 0.93 ADRB1 (0.52) ADRB1ADRB2HTR1AOPRK1PDE3A
SCHEMBL9687380 0.87 GPR119 (0.39) ADRB1ADRB2HTR1AOPRK1PDE3A
SCHEMBL7303501 0.85 ADRB1 (0.49) ADRB1ADRB2HTR1AADRB3GPR119
SCHEMBL7329284 0.85 GPR119 (0.45) ADRB1ADRB2HTR1AOPRK1ADRB3
SCHEMBL7303255 0.84 GPR119 (0.42) ADRB1ADRB2HTR1AOPRK1PDE3A
SCHEMBL7306521 0.83 ADRB1 (0.46) ADRB1ADRB2HTR1AOPRK1PDE3A
SCHEMBL7295783 0.82 PDE3A (0.43) ADRB1ADRB2HTR1APDE3APDE3B
SCHEMBL9686104 0.79 HRH3 (0.43) ADRB1ADRB2HTR1AOPRK1PDE3A
SCHEMBL7328370 0.77 HRH3 (0.47) ADRB1ADRB2HTR1AOPRK1ADRB3
SCHEMBL7299789 0.76 ADRB1 (0.49) ADRB1ADRB2HTR1AADRB3HRH3

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
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 EP disclosed