SCHEMBL11487553

SCHEMBL11487553

CC(O)(CCN1CCNCC1)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
LTA4H P09960 3/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL11487323 0.90 LTA4H (0.56) ALDH1A1LTA4HMEN1KMT2APTGS2
SCHEMBL11488495 0.88 ALDH1A1 (0.53) ALDH1A1LTA4HMEN1KMT2AMAPT
SCHEMBL11487622 0.88 LTA4H (0.55) ALDH1A1LTA4HMEN1KMT2APTGS2
SCHEMBL11487560 0.88 HTT (0.55) ALDH1A1LTA4HMEN1KMT2ASMN1; SMN2
SCHEMBL11493698 0.88 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASLC6A4SLC6A3
SCHEMBL11494089 0.87 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11495745 0.87 SLC6A4 (0.52) ALDH1A1LTA4HMEN1KMT2AMAPT
SCHEMBL11489481 0.87 ALDH1A1 (0.49) ALDH1A1LTA4HMEN1KMT2AMAPT
SCHEMBL11496587 0.87 LMNA (0.53) ALDH1A1LTA4HMEN1KMT2APTGS2
SCHEMBL11489477 0.87 ALDH1A1 (0.52) ALDH1A1LTA4HMEN1KMT2AMAPT

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
US-4239759-A Morpholino containing compounds, compositions and use thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-12-16 US disclosed
US-4110447-A Anti-inflammatory (halo-4-biphenylyl)-alkanolamines MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1978-08-29 US disclosed