Sugi Predict

Sugi Predict / Compounds / SCHEMBL7469433

SCHEMBL7469433

SCHEMBL7469433

CC(NC(=O)C(CO)(Cc1c[nH]c2ccccc12)NCc1cc2ccccc2o1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 19/20 0.69
▸ TACR3 P29371 1/20 0.47

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
SCHEMBL7525917 0.91 TACR1 (0.77) TACR1TACR3
SCHEMBL7532240 0.91 TACR1 (0.77) TACR1TACR3
SCHEMBL7530989 0.91 TACR1 (0.78) TACR1TACR3
SCHEMBL7525927 0.91 TACR1 (0.77) TACR1TACR3
SCHEMBL7523633 0.91 TACR1 (0.68) TACR1TACR3
SCHEMBL7062087 0.88 TACR1 (0.76) TACR1TACR3
SCHEMBL27587064 0.86 TACR1 (0.66) TACR1TACR3
SCHEMBL7846815 0.85 TACR1 (0.68) TACR1TACR3
SCHEMBL7067703 0.85 TACR1 (0.68) TACR1TACR3
SCHEMBL7528982 0.84 TACR1 (0.79) TACR1TACR3

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
EP-1244653-A1 NON PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2002-10-02 — — EP claimed
WO-2001046176-A2 NON PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-06-28 — — WO claimed
CN-1413206-A Non peptide tachykinin receptor antagonists WARNER LAMBERT CO (US) 2003-04-23 — — CN disclosed
EP-1244653-A1 NON PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2002-10-02 — — EP disclosed
WO-2001046176-A2 NON PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-06-28 — — WO disclosed