SCHEMBL9207136

SCHEMBL9207136

Cc1cc2c(cc1C)CC(=O)N(CC1CCN(CCc3cc4ccccc4o3)C1)CC2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 7/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.38
DRD2 P14416 3/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
ACHE P22303 2/20 0.35
HTR1A P08908 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL9215152 0.95 MAPK1 (0.44) HTR2BMAPK1LMNADRD2HCRTR1
SCHEMBL9213117 0.94 MAPK1 (0.42) HTR2BMAPK1LMNADRD2HCRTR1
SCHEMBL9216985 0.91 HTR2B (0.45) HTR2BLMNADRD2HCRTR1HCRTR2
SCHEMBL9215967 0.90 HTR2B (0.38) HTR2BMAPK1DRD2SLC6A4SLC6A3
SCHEMBL9214809 0.89 MAPK1 (0.41) HTR2BMAPK1LMNADRD2HCRTR1
SCHEMBL9206641 0.88 MAPK1 (0.41) HTR2BMAPK1LMNADRD2HRH3
SCHEMBL9207394 0.86 HCRTR1 (0.44) HTR2BMAPK1LMNADRD2HCRTR1
SCHEMBL9210489 0.85 HCRTR1 (0.44) HTR2BMAPK1LMNADRD2HCRTR1
SCHEMBL9217026 0.85 MAPK1 (0.40) HTR2BMAPK1LMNADRD2HCRTR1
SCHEMBL9207626 0.84 MAPK1 (0.38) HTR2BMAPK1LMNADRD2HCRTR1

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