SCHEMBL8147928

SCHEMBL8147928

CC[C@@H](CC(C)=O)c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.56
▸ CRHR2 Q13324 1/20 0.56
▸ PTPN1 P18031 3/20 0.45
▸ MTNR1A P48039 3/20 0.45
▸ MTNR1B P49286 3/20 0.45
▸ NR3C1 P04150 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ CNR2 P34972 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TSPO P30536 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SLC16A3 O15427 1/20 0.38
▸ SLC16A1 P53985 1/20 0.38
▸ GRM2 Q14416 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ JAK2 O60674 1/20 0.37

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
SCHEMBL7409819 0.81 GAA (0.49) CRHBPCRHR2PTPN1NR3C1GRM2
SCHEMBL13250687 0.80 CRHBP (0.56) CRHBPCRHR2PTPN1MTNR1AMTNR1B
SCHEMBL1500385 0.77 GABBR2 (0.48) MTNR1AMTNR1BKMT2AMEN1L3MBTL1
SCHEMBL6958547 0.75 CRHBP (0.38) CRHBPCRHR2PTPN1NR3C1NPC1
SCHEMBL6956625 0.75 CRHBP (0.38) CRHBPCRHR2PTPN1NR3C1NPC1
SCHEMBL7950843 0.75 CRHBP (0.38) CRHBPCRHR2PTPN1NR3C1NPC1
SCHEMBL8806910 0.75 CRHBP (0.68) CRHBPCRHR2PTPN1MTNR1AMTNR1B
SCHEMBL7405135 0.74 CRHBP (0.52) CRHBPCRHR2PTPN1MTNR1AMTNR1B
SCHEMBL12774503 0.74 CRHBP (0.54) CRHBPCRHR2PTPN1MTNR1AMTNR1B
SCHEMBL5801482 0.72 CCR5 (0.38) CRHBPCRHR2TSHRKMT2AMEN1

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
WO-2008112286-A9 DE NOVO SYNTHESIS OF CONJUGATES NEKTAR THERAPEUTICS AL CORP (US) 2008-12-18 — — WO disclosed
WO-2008112286-A2 DE NOVO SYNTHESIS OF CONJUGATES NEKTAR THERAPEUTICS (US) 2008-09-18 — — WO disclosed
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