Sugi Predict

Sugi Predict / Compounds / SCHEMBL8197980

SCHEMBL8197980

SCHEMBL8197980

C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OCc1cccc(F)c1)C(=O)NCCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 3/20 0.62
▸ TACR1 P25103 8/20 0.61
▸ NMBR P28336 1/20 0.59

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
SCHEMBL8200385 0.92 TACR1 (0.65) CCKBRTACR1NMBR
SCHEMBL8197623 0.90 TACR1 (0.72) CCKBRTACR1NMBR
SCHEMBL8197613 0.90 TACR1 (0.72) CCKBRTACR1NMBR
SCHEMBL8198630 0.88 CCKBR (0.65) CCKBRTACR1NMBR
SCHEMBL8203087 0.88 TACR1 (0.71) CCKBRTACR1NMBR
SCHEMBL8937170 0.87 TACR1 (0.72) CCKBRTACR1NMBR
SCHEMBL8203281 0.86 CCKBR (0.67) CCKBRTACR1NMBR
SCHEMBL8198520 0.85 TACR1 (0.84) TACR1
SCHEMBL8197982 0.85 TACR1 (0.84) TACR1
SCHEMBL8850617 0.85 CCKBR (0.62) CCKBRTACR1NMBR

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
EP-1000930-A2 Tachykinin antagonists WARNER-LAMBERT COMPANY (US) 2000-05-17 — — EP disclosed
US-5594022-A CARBAMATES WARNER-LAMBERT COMPANY (US) 1997-01-14 — — US disclosed
EP-0655055-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-05-31 — — EP disclosed
WO-1994004494-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-03-03 — — WO disclosed