SCHEMBL11489286

SCHEMBL11489286

CCC(=O)NCCC(C)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 4/20 0.46
▸ FNTB P49356 4/20 0.46
▸ HTT P42858 1/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ LTA4H P09960 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ MMP1 P03956 2/20 0.43
▸ ACACB O00763 1/20 0.43
▸ ACACA Q13085 1/20 0.43
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CNR2 P34972 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ UTS2R Q9UKP6 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
SCHEMBL11489566 0.90 HTT (0.47) FNTAFNTBHTTFFAR1LTA4H
SCHEMBL11489493 0.88 HTT (0.49) HTTFFAR1MTNR1AMTNR1BRAB9A
SCHEMBL11494345 0.86 LTA4H (0.49) FNTAFNTBFFAR1LTA4HMMP1
SCHEMBL11494183 0.85 CNR1 (0.46) FNTAFNTBFFAR1LTA4HEPHX2
SCHEMBL11493561 0.79 FFAR1 (0.39) FNTAFNTBFFAR1MAPTUTS2R
SCHEMBL11489266 0.79 SLC6A4 (0.52) FNTAFNTBFFAR1UTS2R
SCHEMBL11489538 0.78 FFAR1 (0.39) FNTAFNTBFFAR1MAPTUTS2R
SCHEMBL11489610 0.77 MEN1 (0.40) FNTAFNTBFFAR1RAB9AALDH1A1
SCHEMBL11492434 0.77 HTT (0.50) HTTACACAMTNR1AMTNR1BRAB9A
SCHEMBL26262860 0.77 MTNR1A (0.57) EPHX2MTNR1AMTNR1BCNR2ALDH1A1

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
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