SCHEMBL7304714

SCHEMBL7304714

Cc1ccc(Cl)c(OCC(O)CNCCOc2ccc(C3=NNC(=O)CC3C)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
PDE3B Q13370 9/20 0.45
PDE3A Q14432 9/20 0.45
PDE4A P27815 5/20 0.44
PDE4B Q07343 5/20 0.44
PDE4C Q08493 5/20 0.44
PDE4D Q08499 5/20 0.44
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRK3 P35626 1/20 0.37

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
SCHEMBL7295783 0.92 PDE3A (0.43) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL9655934 0.83 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9657409 0.82 PDE3B (0.45) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL7304719 0.82 HRH3 (0.47) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL7328370 0.82 HRH3 (0.47) HRH3ATMSMN1; SMN2MAPTALDH1A1
SCHEMBL7335463 0.81 HRH3 (0.54) HRH3PDE3BPDE3AATMSMN1; SMN2
SCHEMBL7305182 0.81 HRH3 (0.46) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL7299789 0.81 ADRB1 (0.49) HRH3KDM4EADRB2ADRB1ADRB3
SCHEMBL7306614 0.79 ADRB1 (0.52) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL9686104 0.78 HRH3 (0.43) HRH3PDE3BPDE3APDE4APDE4B

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