SCHEMBL9206763

SCHEMBL9206763

O=C1Cc2cc3c(cc2CCN1CC1CCCN(CCCc2cc4ccccc4s2)C1)OCO3

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.36
KDM2B Q8NHM5 1/20 0.35
LMNA P02545 2/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
PDE2A O00408 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CHRNA7 P36544 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR7 P34969 3/20 0.33
GRM5 P41594 1/20 0.33
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
HTR6 P50406 2/20 0.32
CHRM3 P20309 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
SCHEMBL9213547 0.95 LTA4H (0.37) LTA4HKDM2BLMNAHCRTR1HCRTR2
SCHEMBL9216368 0.90 KDM2B (0.36) LTA4HKDM2BLMNAHCRTR1HCRTR2
SCHEMBL9216928 0.88 HCRTR1 (0.41) KDM2BLMNAHCRTR1HCRTR2
SCHEMBL9215744 0.85 KDM2B (0.37) LTA4HKDM2BLMNAHCRTR1HCRTR2
SCHEMBL9208812 0.83 DRD2 (0.38) LTA4HLMNAALDH1A1HTR7DRD2
SCHEMBL9213551 0.83 HCRTR1 (0.42) KDM2BLMNAHCRTR1HCRTR2CHRNA7
SCHEMBL9206564 0.83 NPC1 (0.36) LTA4HLMNAHRH3ALDH1A1KDM4E
SCHEMBL9209357 0.83 DRD2 (0.37) LTA4HLMNAHRH3ALDH1A1HTR7
SCHEMBL9216989 0.83 HTR1A (0.36) LTA4HLMNAPDE2ACHRNA7ALDH1A1
SCHEMBL9208761 0.82 NPC1 (0.35) LTA4HLMNAHRH3ALDH1A1KDM4E

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