SCHEMBL9216130

SCHEMBL9216130

Cc1cc2c(cc1C)CC(=O)N(CC1CCN(CCCc3c[nH]c4ccccc34)C1)CC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.47
DRD2 P14416 4/20 0.46
SLC6A4 P31645 2/20 0.46
HTR7 P34969 2/20 0.46
HRH1 P35367 2/20 0.46
DRD3 P35462 2/20 0.46
HTR2A P28223 1/20 0.46
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD4 P21917 1/20 0.41
HTR2B P41595 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 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
SCHEMBL9216571 0.91 PDE4D (0.49) HTR1ADRD2SLC6A4HTR7HRH1
SCHEMBL9215340 0.90 HTR1A (0.47) HTR1ADRD2SLC6A4HTR7HRH1
Hydrochloric Acid SCHEMBL9740012 0.90 PDE4D (0.48) HTR1ADRD2SLC6A4HTR7HRH1
SCHEMBL9208765 0.90 HTR1D (0.42) HTR1ADRD2SLC6A4HTR7DRD3
Water SCHEMBL9739470 0.90 HTR1A (0.45) HTR1ADRD2SLC6A4HTR7HRH1
Hydrochloric Acid SCHEMBL9212006 0.89 HTR1A (0.46) HTR1ADRD2SLC6A4HTR7HRH1
SCHEMBL9215979 0.86 PDE4D (0.48) HTR1ADRD2SLC6A4HTR7HRH1
Hydrochloric Acid SCHEMBL9741187 0.86 PDE4D (0.48) HTR1ADRD2SLC6A4HTR7HRH1
SCHEMBL9205462 0.85 HTR1A (0.45) HTR1ADRD2SLC6A4HTR7HRH1
Water SCHEMBL9740391 0.85 PDE4D (0.47) HTR1ADRD2SLC6A4HTR7HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292840-B1 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation THOMAE GMBH DR K (DE) 1995-08-09 EP disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
EP-0292840-A2 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation Dr. Karl Thomae GmbH (DE) 1988-11-30 EP disclosed