SCHEMBL9215744

SCHEMBL9215744

Cc1cc2c(cc1C)CC(=O)N(CC1CCCN(CCc3cc4ccccc4s3)C1)CC2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.37
PDE2A O00408 1/20 0.36
LMNA P02545 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CHRNA7 P36544 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LTA4H P09960 1/20 0.34
KCNH2 Q12809 2/20 0.34
GHSR Q92847 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM5 P41594 1/20 0.33
DRD2 P14416 1/20 0.32
SLC6A4 P31645 1/20 0.32
CXCR4 P61073 1/20 0.32

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
SCHEMBL9216368 0.95 KDM2B (0.36) KDM2BPDE2ALMNAHCRTR1HCRTR2
SCHEMBL9213551 0.91 HCRTR1 (0.42) KDM2BLMNAHCRTR1HCRTR2CHRNA7
SCHEMBL9213547 0.90 LTA4H (0.37) KDM2BPDE2ALMNAHCRTR1HCRTR2
SCHEMBL9216928 0.86 HCRTR1 (0.41) KDM2BLMNAHCRTR1HCRTR2KCNH2
SCHEMBL9206763 0.85 LTA4H (0.36) KDM2BPDE2ALMNAHCRTR1HCRTR2
SCHEMBL9215152 0.85 MAPK1 (0.44) PDE2ALMNAHCRTR1HCRTR2HRH3
SCHEMBL9207422 0.84 HRH3 (0.40) LMNAHRH3LTA4HKCNH2GHSR
SCHEMBL9211495 0.82 HTR1A (0.42) PDE2ACHRNA7LTA4HMEN1KMT2A
SCHEMBL9213117 0.82 MAPK1 (0.42) PDE2ALMNAHCRTR1HCRTR2LTA4H
SCHEMBL9208037 0.82 HRH3 (0.37) LMNAHRH3LTA4HKCNH2GHSR

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