SCHEMBL11487640

SCHEMBL11487640

CC(O)(CCN1CCN(CCO)CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 2/20 0.55
NCOA3 Q9Y6Q9 1/20 0.52
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM3 P20309 2/20 0.43
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
HTR1A P08908 1/20 0.43
CYP2D6 P10635 1/20 0.43
OPRM1 P35372 1/20 0.43
KCNH2 Q12809 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL11494398 0.90 SLC6A4 (0.56) SLC6A4SLC6A3ALDH1A1CHRM4CHRM5
SCHEMBL11495149 0.89 SLC6A4 (0.55) SLC6A4SLC6A3NCOA3ALDH1A1LMNA
SCHEMBL11489480 0.88 CYP2D6 (0.56) SLC6A4SLC6A3LMNACHRM4CHRM5
SCHEMBL11487551 0.87 SLC6A4 (0.55) SLC6A4SLC6A3ALDH1A1
SCHEMBL11486298 0.87 ALDH1A1 (0.47) SLC6A4SLC6A3NCOA3ALDH1A1LMNA
SCHEMBL11487380 0.87 CYP2D6 (0.59) SLC6A4SLC6A3LMNACHRM4CHRM5
SCHEMBL11492202 0.86 CHRM2 (0.52) SLC6A4SLC6A3ALDH1A1LMNACHRM4
SCHEMBL11486715 0.84 ALDH1A1 (0.62) SLC6A4SLC6A3ALDH1A1LMNAOPRM1
SCHEMBL11489625 0.84 ALDH1A1 (0.52) SLC6A4SLC6A3ALDH1A1LMNACHRM4
SCHEMBL11488615 0.83 SLC6A4 (0.50) SLC6A4SLC6A3ALDH1A1LMNACHRM2

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