SCHEMBL9215424

SCHEMBL9215424

COc1cc2c(cc1OC)C(=O)N(CC1CCN(CCCc3c[nH]c4ccc(OCc5ccccc5)cc34)C1)CC2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 6/20 0.49
HTR1B P28222 5/20 0.49
HTR1A P08908 4/20 0.44
SLC6A4 P31645 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE4D Q08499 1/20 0.43
TRPM8 Q7Z2W7 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR6 P50406 2/20 0.41
KCNH2 Q12809 2/20 0.41
LTA4H P09960 1/20 0.41
PLA2G2A P14555 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
SCHEMBL9213173 0.89 HTR1D (0.47) HTR1DHTR1BHTR1ASLC6A4MAPT
SCHEMBL9206755 0.87 HTR1D (0.43) HTR1DHTR1BHTR1ASLC6A4MAPT
SCHEMBL9209371 0.87 HTR1D (0.52) HTR1DHTR1BHTR1ASLC6A4
SCHEMBL9206604 0.84 HTR1A (0.55) HTR1ASLC6A4MAPTMEN1LMNA
SCHEMBL9215781 0.83 HTR1D (0.48) HTR1DHTR1BHTR1ASLC6A4MAPT
SCHEMBL9216571 0.79 PDE4D (0.49) HTR1DHTR1BHTR1ASLC6A4PDE4D
SCHEMBL9213471 0.79 HTR1A (0.61) HTR1ASLC6A4
SCHEMBL9215340 0.78 HTR1A (0.47) HTR1DHTR1BHTR1ASLC6A4MAPT
Hydrochloric Acid SCHEMBL9740012 0.78 PDE4D (0.48) HTR1DHTR1BHTR1ASLC6A4PDE4D
Hydrochloric Acid SCHEMBL9212006 0.77 HTR1A (0.46) HTR1DHTR1BHTR1ASLC6A4MAPT

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-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