SCHEMBL27904469

SCHEMBL27904469

C=C(C)N(C(C)=O)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.44
▸ MTNR1B P49286 2/20 0.44
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ GAA P10253 2/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ TGM2 P21980 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALPG P10696 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35

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
SCHEMBL27922416 0.78 CYP1A2 (0.37) GAARAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL12334814 0.77 CRHBP (0.46) MTNR1AMTNR1BCRHBPCRHR2GAA
SCHEMBL2378380 0.77 MTNR1A (0.48) MTNR1AMTNR1BPARP1ALDH1A1L3MBTL1
SCHEMBL2377323 0.76 MTNR1A (0.40) MTNR1AMTNR1BCRHBPCRHR2GAA
SCHEMBL27641822 0.75 MTNR1A (0.49) MTNR1AMTNR1BCRHBPCRHR2GAA
SCHEMBL28980326 0.75 MTNR1A (0.47) MTNR1AMTNR1BGAARAB9ASMN1; SMN2
SCHEMBL10398568 0.75 CRHBP (0.65) MTNR1AMTNR1BCRHBPCRHR2GAA
SCHEMBL27533546 0.75 MTNR1A (0.47) MTNR1AMTNR1BGAARAB9ASMN1; SMN2
SCHEMBL1400933 0.73 MTNR1A (0.48) MTNR1AMTNR1BCRHBPCRHR2PARP1
SCHEMBL2083223 0.72 MTNR1A (0.48) MTNR1AMTNR1BGAARAB9ASMN1; SMN2

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
CN-103087105-B Chiral phosphine ligand and comprise the metal catalyst of this part and their application SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-08-05 — — CN disclosed
CN-103087105-A Chiral phosphine ligand and metal catalyst comprising same and application of chiral phosphine ligand and metal catalyst SHANGHAI INST ORGANIC CHEM 2013-05-08 — — CN disclosed
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