SCHEMBL7753601

SCHEMBL7753601

CC(=O)NC(Oc1ccccc1)[C@@H]1CO1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.44
MTNR1B P49286 5/20 0.44
ACACB O00763 7/20 0.40
ACACA Q13085 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11500506 1.00 MTNR1A (0.44) MTNR1AMTNR1BACACBACACACYP1A2
SCHEMBL11384019 0.75 MTNR1A (0.57) MTNR1AMTNR1BACACBACACACYP1A2
SCHEMBL10600797 0.72 CYP1A2 (0.39) MTNR1AMTNR1BCYP1A2CYP2C19PPARA
SCHEMBL5599032 0.71 TDP1 (0.45) TSHRMEN1ALDH1A1KMT2A
SCHEMBL7855245 0.70 MTNR1A (0.51) MTNR1AMTNR1BACACBACACACYP1A2
SCHEMBL18342941 0.70 MTNR1A (0.51) MTNR1AMTNR1BACACBACACACYP1A2
SCHEMBL13536230 0.70 CTRB1 (0.51) MTNR1AMTNR1BMEN1ALDH1A1KMT2A
SCHEMBL4243856 0.70 CHRNB4 (0.49) MTNR1AMTNR1BTSHR
SCHEMBL11847238 0.68 MTNR1A (0.49) MTNR1AMTNR1BACACBACACAMEN1
SCHEMBL9587807 0.67 TDP1 (0.39) TSHR

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
EP-1070046-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP disclosed
WO-1999051564-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-14 WO disclosed