Sugi Predict

Sugi Predict / Compounds / SCHEMBL8083795

SCHEMBL8083795

SCHEMBL8083795

N#Cc1ccccc1C#CC1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 7/20 0.61
▸ PGR P06401 2/20 0.61
▸ NR1I2 O75469 1/20 0.61
▸ NR3C1 P04150 1/20 0.61
▸ ADRB1 P08588 1/20 0.61
▸ ADORA3 P0DMS8 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ CNR1 P21554 1/20 0.61
▸ SLC6A2 P23975 1/20 0.61
▸ HTR2A P28223 1/20 0.61
▸ HTR2C P28335 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ AGTR1 P30556 1/20 0.61
▸ CCKBR P32239 1/20 0.61
▸ PPARG P37231 1/20 0.61
▸ OPRK1 P41145 1/20 0.61
▸ SLC6A3 Q01959 1/20 0.61
▸ PDE4D Q08499 1/20 0.61
▸ PDE3A Q14432 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61

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
SCHEMBL1151823 0.84 CYP46A1 (0.65) CYP46A1PGRNR1I2NR3C1ADRB1
SCHEMBL7954675 0.80 CYP46A1 (0.62) CYP46A1PGRNR1I2NR3C1ADRB1
SCHEMBL1152662 0.77 PGR (0.55) CYP46A1PGRNR1I2NR3C1ADRB1
SCHEMBL8075473 0.77 CYP46A1 (0.67) CYP46A1PGRNR1I2NR3C1ADRB1
SCHEMBL14002297 0.77 CYP46A1 (0.67) CYP46A1PGRNR1I2NR3C1ADRB1
SCHEMBL14439949 0.77 CYP46A1 (0.76) CYP46A1PGRNR1I2NR3C1ADRB1
SCHEMBL16160982 0.76 CYP46A1 (0.60) CYP46A1PGRNR1I2NR3C1ADRB1
Efavirenz SCHEMBL464769 0.76 CYP46A1 (1.00) CYP46A1PGRNR1I2NR3C1ADRB1
Efavirenz SCHEMBL3227745 0.76 CYP46A1 (1.00) CYP46A1PGRNR1I2NR3C1ADRB1
Efavirenz SCHEMBL13098636 0.76 CYP46A1 (1.00) CYP46A1PGRNR1I2NR3C1ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0582455-B1 Benzoxazinones as inhibitors of HIV reverse transcriptase MERCK & CO INC (US) 2000-11-02 — — EP claimed
US-5663169-A Benzoxazinones as inhibitors of HIV reverse transcriptase MERCK & CO., INC. (US) 1997-09-02 — — US claimed
WO-1995020389-A1 BENZOXAZINONES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1995-08-03 — — WO claimed
WO-1994003440-A1 BENZOXAZINONES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1994-02-17 — — WO claimed
EP-0582455-A1 Benzoxazinones as inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1994-02-09 — — EP claimed
EP-0582455-B1 Benzoxazinones as inhibitors of HIV reverse transcriptase MERCK & CO INC (US) 2000-11-02 — — EP disclosed
US-5811423-A Benzoxazinones as inhibitors of HIV reverse transcriptase MERCK & CO., INC. (US) 1998-09-22 — — US disclosed
US-5665720-A MIXTURE WITH NUCLEOSIDE ANALOG MERCK & CO., INC. (US) 1997-09-09 — — US disclosed
US-5663169-A Benzoxazinones as inhibitors of HIV reverse transcriptase MERCK & CO., INC. (US) 1997-09-02 — — US disclosed
US-5519021-A Benzoxazinones as inhibitors of HIV reverse transcriptase MERCK & CO., INC. (US) 1996-05-21 — — US disclosed
WO-1995020389-A1 BENZOXAZINONES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1995-08-03 — — WO disclosed
WO-1994003440-A1 BENZOXAZINONES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1994-02-17 — — WO disclosed
EP-0582455-A1 Benzoxazinones as inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1994-02-09 — — EP disclosed