Sugi Predict

Sugi Predict / Compounds / SCHEMBL6879554

SCHEMBL6879554

SCHEMBL6879554

CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(S(C)(=O)=O)nc1Oc1ccccc1Cl.O=C(OO)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 20/20 0.45
▸ TACR3 P29371 19/20 0.45

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
SCHEMBL6880008 0.91 TACR1 (0.41) TACR1TACR3
SCHEMBL6879388 0.91 TACR1 (0.53) TACR1TACR3
SCHEMBL6871326 0.82 TACR1 (0.51) TACR1TACR3
SCHEMBL6877147 0.79 TACR1 (0.49) TACR1TACR3
SCHEMBL5803508 0.77 TACR1 (0.51) TACR1TACR3
SCHEMBL6880246 0.77 CYP1A2 (0.40) —
SCHEMBL5800002 0.74 TACR1 (0.53) TACR1TACR3
SCHEMBL5800436 0.74 TACR1 (0.52) TACR1TACR3
SCHEMBL6880250 0.73 CYP1A2 (0.41) —
SCHEMBL5799836 0.73 TACR1 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787539-B2 HAS ACTIVITY AS AN ANTAGONIST TO NEUROKININ 1 RECEPTORS; FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA (BPH) HOFFMANN-LA ROCHE INC. 2004-09-07 — — US disclosed
EP-1339698-A2 PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-03 — — EP disclosed
WO-2002042280-A2 PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-30 — — WO disclosed