SCHEMBL9216368

SCHEMBL9216368

Cc1cc2c(cc1C)CC(=O)N(CC1CCCN(CCCc3cc4ccccc4s3)C1)CC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.36
PDE2A O00408 1/20 0.35
LMNA P02545 1/20 0.35
CHRM3 P20309 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CHRNA7 P36544 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
LTA4H P09960 1/20 0.34
HTR7 P34969 3/20 0.33
GRM5 P41594 1/20 0.33
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 0.33
HTR6 P50406 2/20 0.33
KCNH2 Q12809 2/20 0.33
GHSR Q92847 1/20 0.33
CCR2 P41597 1/20 0.33

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
SCHEMBL9215744 0.95 KDM2B (0.37) KDM2BPDE2ALMNAHCRTR1HCRTR2
SCHEMBL9216928 0.91 HCRTR1 (0.41) KDM2BLMNAHCRTR1HCRTR2KCNH2
SCHEMBL9206763 0.90 LTA4H (0.36) KDM2BPDE2ALMNACHRM3HCRTR1
SCHEMBL9213551 0.86 HCRTR1 (0.42) KDM2BLMNAHCRTR1HCRTR2CHRNA7
SCHEMBL9213547 0.85 LTA4H (0.37) KDM2BPDE2ALMNAHCRTR1HCRTR2
SCHEMBL9214809 0.83 MAPK1 (0.41) PDE2ALMNAHCRTR1HCRTR2HRH3
SCHEMBL9208876 0.82 HRH3 (0.36) LMNAHRH3LTA4HHTR7KCNH2
SCHEMBL9206641 0.82 MAPK1 (0.41) PDE2ALMNAHRH3HTR7DRD2
SCHEMBL9212975 0.82 HRH3 (0.35) LMNAHRH3LTA4HHTR7KCNH2
SCHEMBL9215152 0.82 MAPK1 (0.44) PDE2ALMNAHCRTR1HCRTR2HRH3

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