SCHEMBL7405135

SCHEMBL7405135

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ PTPN1 P18031 3/20 0.45
▸ NR3C1 P04150 2/20 0.43
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ CYP2C19 P33261 2/20 0.38

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
SCHEMBL7403331 0.88 CRHBP (0.48) CRHBPCRHR2PTPN1NR3C1MTNR1A
SCHEMBL8722000 0.77 CRHBP (0.38) CRHBPCRHR2PTPN1NR3C1SLC6A2
SCHEMBL8725168 0.77 CRHBP (0.52) CRHBPCRHR2PTPN1NR3C1MTNR1A
SCHEMBL25152152 0.77 MAPT (0.51) SLC6A2SLC6A4SLC6A3L3MBTL1CYP2C19
SCHEMBL3299318 0.77 MAPT (0.51) SLC6A2SLC6A4SLC6A3L3MBTL1CYP2C19
SCHEMBL25152388 0.77 MAPT (0.51) SLC6A2SLC6A4SLC6A3L3MBTL1CYP2C19
SCHEMBL29185565 0.75 HIF1A (0.47) SLC6A3TSHRLMNACYP2C9MAPT
SCHEMBL7405137 0.75 NR3C1 (0.39) CRHBPCRHR2NR3C1RXRARXRB
SCHEMBL8147928 0.74 CRHBP (0.56) CRHBPCRHR2PTPN1NR3C1MTNR1A
SCHEMBL12774503 0.74 CRHBP (0.54) CRHBPCRHR2PTPN1NR3C1MTNR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6169181-B1 HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS PHARMACIA & UPJOHN COMPANY 2001-01-02 — — US disclosed
US-5852195-A Pyranone compounds useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1998-12-22 — — US disclosed
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 — — WO disclosed
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