SCHEMBL11489140

SCHEMBL11489140

CN1CCN(CCC(C)(O)c2ccc(-c3ccc(F)cc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.56
SLC6A3 Q01959 2/20 0.56
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
CHKA P35790 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
CCR2 P41597 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 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
SCHEMBL11492669 0.90 SLC6A4 (0.55) SLC6A4SLC6A3ALDH1A1CCR2SMN1; SMN2
SCHEMBL11487551 0.90 SLC6A4 (0.55) SLC6A4SLC6A3ALDH1A1CCR2SMN1; SMN2
SCHEMBL11492535 0.90 SLC6A4 (0.54) SLC6A4SLC6A3ALDH1A1CHRM2CHRM1
SCHEMBL11496019 0.89 SLC6A4 (0.53) SLC6A4SLC6A3ALDH1A1CHRM2CHRM1
SCHEMBL11487540 0.89 SLC6A4 (0.53) SLC6A4SLC6A3ALDH1A1CHRM2CHRM1
SCHEMBL11487165 0.87 SLC6A4 (0.52) SLC6A4SLC6A3ALDH1A1CHRM2CHRM4
SCHEMBL11494398 0.87 SLC6A4 (0.56) SLC6A4SLC6A3ALDH1A1CHKACHRM2
SCHEMBL11496100 0.86 ALDH1A1 (0.60) SLC6A4SLC6A3ALDH1A1TSHRUSP2
SCHEMBL11487415 0.86 HTT (0.58) SLC6A4SLC6A3ALDH1A1TSHRCHKA
SCHEMBL11493836 0.85 SLC6A4 (0.51) SLC6A4SLC6A3ALDH1A1

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