SCHEMBL9213547

SCHEMBL9213547

O=C1Cc2cc3c(cc2CCN1CC1CCCN(CCc2cc4ccccc4s2)C1)OCO3

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.37
KDM2B Q8NHM5 1/20 0.36
LMNA P02545 2/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CHRNA7 P36544 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PDE2A O00408 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
MCHR1 Q99705 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
SCHEMBL9206763 0.95 LTA4H (0.36) LTA4HKDM2BLMNAHCRTR1HCRTR2
SCHEMBL9215744 0.90 KDM2B (0.37) LTA4HKDM2BLMNAHCRTR1HCRTR2
SCHEMBL9213551 0.88 HCRTR1 (0.42) KDM2BLMNAHCRTR1HCRTR2CHRNA7
SCHEMBL9217026 0.85 MAPK1 (0.40) LTA4HLMNAHCRTR1HCRTR2PDE2A
SCHEMBL9216368 0.85 KDM2B (0.36) LTA4HKDM2BLMNAHCRTR1HCRTR2
SCHEMBL9207563 0.85 LTA4H (0.37) LTA4HLMNAHRH3KDM4EALDH1A1
SCHEMBL9206684 0.85 HTR1A (0.41) LTA4HLMNACHRNA7PDE2AKDM4E
SCHEMBL9216928 0.83 HCRTR1 (0.41) KDM2BLMNAHCRTR1HCRTR2
SCHEMBL9207626 0.83 MAPK1 (0.38) LTA4HLMNAHCRTR1HCRTR2PDE2A
SCHEMBL9205933 0.82 LTA4H (0.35) LTA4HLMNAHRH3KDM4EALDH1A1

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 1 patent. 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