Sugi Predict

Sugi Predict / Compounds / SCHEMBL7088172

SCHEMBL7088172

SCHEMBL7088172

COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(CO)cc1)C(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 20/20 1.00

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
SCHEMBL7085269 0.94 TACR1 (0.88) TACR1
SCHEMBL7088638 0.94 TACR1 (0.88) TACR1
SCHEMBL7089247 0.94 TACR1 (1.00) TACR1
SCHEMBL7088790 0.93 TACR1 (0.87) TACR1
SCHEMBL7086748 0.93 TACR1 (0.87) TACR1
SCHEMBL7087793 0.93 TACR1 (0.92) TACR1
SCHEMBL7088019 0.93 TACR1 (0.86) TACR1
SCHEMBL7088608 0.92 TACR1 (0.86) TACR1
SCHEMBL7088905 0.92 TACR1 (0.86) TACR1
SCHEMBL7084241 0.92 TACR1 (0.91) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358994-B1 2-((2-PHENOXY)ACETYL)AMINO-3-(1H-INDOL-3-YL)-1-(N-2 -METHOXYBENZYL)ACETYLAMINO)PROPANE ELI LILLY AND COMPANY 2002-03-19 — — US claimed
EP-1005454-A4 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2003-01-15 — — EP disclosed
US-6358994-B1 2-((2-PHENOXY)ACETYL)AMINO-3-(1H-INDOL-3-YL)-1-(N-2 -METHOXYBENZYL)ACETYLAMINO)PROPANE ELI LILLY AND COMPANY 2002-03-19 — — US disclosed
EP-1005454-A1 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-06-07 — — EP disclosed
WO-1999007677-A1 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1999-02-18 — — WO disclosed