Sugi Predict

Sugi Predict / Compounds / SCHEMBL8893069

SCHEMBL8893069

SCHEMBL8893069

CC(Cc1c[nH]c2ccccc12)(OS(=O)(=O)NC(=O)O)C(=O)NC(CO)C(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 16/20 0.44
▸ TACR3 P29371 1/20 0.44
▸ ACE P12821 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ADRB3 P13945 1/20 0.40

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
SCHEMBL6888854 0.84 TACR1 (0.46) TACR1TACR3ACEMEN1KMT2A
SCHEMBL8894222 0.83 TACR1 (0.48) TACR1TACR3
SCHEMBL8892928 0.81 TACR1 (0.57) TACR1TACR3
SCHEMBL9293660 0.80 TACR1 (0.48) TACR1TACR3
SCHEMBL8893578 0.79 TACR1 (0.51) TACR1TACR3
SCHEMBL8705433 0.79 TACR1 (0.46) TACR1TACR3MEN1KMT2AADRB3
SCHEMBL9293320 0.78 TACR1 (0.45) TACR1TACR3ACEADRB3
SCHEMBL8894105 0.78 TACR1 (0.51) TACR1TACR3
SCHEMBL9293315 0.77 TACR1 (0.45) TACR1TACR3ACEADRB3
SCHEMBL8715705 0.75 TACR1 (0.46) TACR1TACR3ADRB3

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
US-5593967-A Cholecystokinin antagonists, their preparation and therapeutic use WARNER-LAMBERT COMPANY (US) 1997-01-14 — — US disclosed
WO-1992004045-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1992-03-19 — — WO disclosed