SCHEMBL7403331

SCHEMBL7403331

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ PTPN1 P18031 3/20 0.44
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ NR3C1 P04150 1/20 0.43
▸ CETP P11597 3/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ KCNA5 P22460 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SLC16A3 O15427 1/20 0.38
▸ SLC16A1 P53985 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 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
SCHEMBL7405135 0.88 CRHBP (0.52) CRHBPCRHR2PTPN1MTNR1AMTNR1B
SCHEMBL8725080 0.77 CRHBP (0.48) CRHBPCRHR2PTPN1MTNR1AMTNR1B
SCHEMBL8722000 0.73 CRHBP (0.38) CRHBPCRHR2PTPN1NR3C1SLC6A2
SCHEMBL8725168 0.73 CRHBP (0.52) CRHBPCRHR2PTPN1MTNR1AMTNR1B
SCHEMBL5369549 0.72 CRHBP (0.48) CRHBPCRHR2PTPN1MTNR1AMTNR1B
SCHEMBL8147928 0.71 CRHBP (0.56) CRHBPCRHR2PTPN1MTNR1AMTNR1B
SCHEMBL12774503 0.71 CRHBP (0.54) CRHBPCRHR2PTPN1MTNR1AMTNR1B
SCHEMBL21377435 0.71 PTPN1 (0.64) CRHBPCRHR2PTPN1MTNR1AMTNR1B
SCHEMBL3652941 0.70 KCNA5 (0.47) CRHBPCRHR2KCNA5MEN1KMT2A
SCHEMBL9031711 0.70 TSHR (0.53) CRHBPCRHR2PTPN1MTNR1AMTNR1B

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 4 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
EP-0758327-A1 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-19 — — EP disclosed
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 — — WO disclosed
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