Sugi Predict

Sugi Predict / Compounds / SCHEMBL5790475

SCHEMBL5790475

SCHEMBL5790475

CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)CCc2ccccc2)c2ccc(F)c(F)c2)CC1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 20/20 0.79
▸ TACR2 P21452 1/20 0.67
▸ TACR1 P25103 1/20 0.67

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
SCHEMBL5791165 1.00 TACR3 (0.79) TACR3TACR2TACR1
SCHEMBL5789206 0.89 TACR3 (0.85) TACR3TACR2TACR1
SCHEMBL5789978 0.89 TACR3 (0.85) TACR3TACR2TACR1
SCHEMBL5788721 0.88 TACR3 (0.67) TACR3TACR2TACR1
SCHEMBL2476841 0.86 TACR3 (0.84) TACR3TACR2TACR1
SCHEMBL2478318 0.86 TACR3 (0.84) TACR3TACR2TACR1
SCHEMBL3745150 0.85 TACR3 (0.73) TACR3TACR2TACR1
SCHEMBL3748645 0.85 TACR3 (0.73) TACR3TACR2TACR1
SCHEMBL2479278 0.84 TACR3 (0.71) TACR3TACR2TACR1
SCHEMBL2476101 0.84 TACR3 (0.71) TACR3TACR2TACR1

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
EP-1656349-A1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS H. Lundbeck A/S (DK) 2006-05-17 — — EP disclosed
WO-2005016884-A9 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS LUNDBECK & CO AS H (DK) 2006-03-16 — — WO disclosed
WO-2005016884-A1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS H. LUNDBECK A/S (DK) 2005-02-24 — — WO disclosed