SCHEMBL11494183

SCHEMBL11494183

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.46
▸ FFAR1 O14842 1/20 0.44
▸ MMP2 P08253 2/20 0.44
▸ MMP9 P14780 2/20 0.44
▸ DRD2 P14416 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ FNTA P49354 3/20 0.41
▸ FNTB P49356 3/20 0.41
▸ UTS2R Q9UKP6 3/20 0.41
▸ CARM1 Q86X55 1/20 0.41
▸ PRMT6 Q96LA8 1/20 0.41
▸ ACACB O00763 1/20 0.41
▸ ACACA Q13085 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ MMP1 P03956 1/20 0.40

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
SCHEMBL11494345 0.88 LTA4H (0.49) CNR1FFAR1FNTAFNTBUTS2R
SCHEMBL11489195 0.87 CNR1 (0.49) CNR1DRD2DRD4UTS2RCYP2D6
SCHEMBL11489286 0.85 FNTA (0.46) CNR1FFAR1FNTAFNTBUTS2R
SCHEMBL11489566 0.83 HTT (0.47) FFAR1FNTAFNTBACACAMMP1
SCHEMBL11489266 0.80 SLC6A4 (0.52) FFAR1FNTAFNTBUTS2R
SCHEMBL11489610 0.79 MEN1 (0.40) FFAR1FNTAFNTBUTS2RCYP1A2
SCHEMBL11493561 0.77 FFAR1 (0.39) FFAR1DRD2DRD4FNTAFNTB
SCHEMBL11507121 0.76 FFAR1 (0.46) FFAR1FNTAFNTBUTS2RLTA4H
SCHEMBL11606085 0.76 FFAR1 (0.39) CNR1FFAR1FNTAFNTBUTS2R
SCHEMBL11496048 0.76 FFAR1 (0.39) FFAR1FNTAFNTBUTS2R

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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