SCHEMBL6099206

SCHEMBL6099206

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(CC=NOCCN2CCOCC2)C[C@H]1Cc1c[nH]c2ccccc12

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
SCHEMBL6099202 1.00 TACR1 (1.00) TACR1
SCHEMBL6101047 0.96 TACR1 (1.00) TACR1
SCHEMBL6101045 0.96 TACR1 (1.00) TACR1
SCHEMBL6100029 0.94 TACR1 (0.89) TACR1
SCHEMBL6100027 0.94 TACR1 (0.89) TACR1
Hydrochloric Acid SCHEMBL7466951 0.88 TACR1 (0.78) TACR1
SCHEMBL6098193 0.87 TACR1 (1.00) TACR1
SCHEMBL6098196 0.87 TACR1 (1.00) TACR1
SCHEMBL6099990 0.87 TACR1 (1.00) TACR1
SCHEMBL6099995 0.87 TACR1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094779-B2 Piperazine oxime dervatives having NK-1 receptor antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2006-08-22 US disclosed
EP-1406894-B1 PIPERAZINE OXIME DERIVATIVES HAVING NK-1 RECEPTOR ANTAGONISTIC ACTIVITY SOLVAY PHARM BV (NL) 2004-12-22 EP disclosed