SCHEMBL8097764

SCHEMBL8097764

O=C(O)O[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
MAOB P27338 8/20 0.43
MAOA P21397 7/20 0.43
KDM1A O60341 6/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2B6 P20813 3/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43

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
SCHEMBL11458171 0.86 HDAC4 (0.44) HDAC4SMN1; SMN2ALDH1A1NPSR1KDM4E
SCHEMBL14714313 0.85 ALDH1A1 (0.50) HDAC4SMN1; SMN2ALDH1A1NPSR1KDM4E
SCHEMBL3170686 0.85 SMN1; SMN2 (0.50) HDAC4SMN1; SMN2ALDH1A1NPSR1KDM4E
SCHEMBL14714314 0.85 ALDH1A1 (0.50) HDAC4SMN1; SMN2ALDH1A1NPSR1KDM4E
SCHEMBL20897888 0.83 CHRM2 (0.50) LMNA
SCHEMBL20503243 0.83 CHRM2 (0.50) LMNA
SCHEMBL9032168 0.83 SLC9A1 (0.44) SLC6A2HTR2CSLC6A3SLC9A1
SCHEMBL21826219 0.82 FABP5 (0.51) HDAC4SMN1; SMN2ALDH1A1NPSR1KDM4E
SCHEMBL25369792 0.79 FABP5 (0.64) HPGDSLC6A2FABP7FABP3FABP5
SCHEMBL21825849 0.79 FABP5 (0.64) HPGDSLC6A2FABP7FABP3FABP5

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
EP-0795547-B1 (Aminoalkyl- and acylaminoalkyl-oxy)benzyloxyquinolines, process for their preparation and use as Bradykinin receptor antagonists HOECHST AG (DE) 2000-05-10 EP disclosed
EP-0795547-A1 (Aminoalkyl- and acylaminoalkyl-oxy)benzyloxyquinolines, process for their preparation and use as Bradykinin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-17 EP disclosed