SCHEMBL7303501

SCHEMBL7303501

CC1CC(=O)NN=C1c1cccc(OCCNCC(O)COc2ccccc2C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 16/20 0.49
ADRB2 P07550 1/20 0.43
ADRB3 P13945 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
MAOA P21397 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL7299789 0.92 ADRB1 (0.49) ADRB1ADRB2ADRB3KDM4EMEN1
SCHEMBL7329284 0.88 GPR119 (0.45) ADRB1ADRB2ADRB3CYP1A2GPR119
SCHEMBL7303255 0.86 GPR119 (0.42) ADRB1ADRB2ADRB3KDM4ECYP1A2
SCHEMBL7300352 0.85 ADRB1 (0.51) ADRB1ADRB2ADRB3GPR119HTR1A
SCHEMBL9687380 0.84 GPR119 (0.39) ADRB1ADRB2ADRB3GPR119HTR1A
SCHEMBL7295783 0.83 PDE3A (0.43) ADRB1ADRB2ADRB3GPR119HTR1A
SCHEMBL7303996 0.81 CTSS (0.43) ADRB1ADRB2ADRB3KDM4EMEN1
SCHEMBL7304010 0.81 PDE3B (0.43) ADRB1ADRB2ADRB3KDM4EMEN1
SCHEMBL7328370 0.80 HRH3 (0.47) ADRB1ADRB2ADRB3CYP1A2HTR1A
SCHEMBL7305172 0.79 GPR119 (0.41) ADRB1ADRB2ADRB3KDM4EMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed
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