SCHEMBL3083325

SCHEMBL3083325

O=C1CC[C@](CCN2CC(N3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCC(F)(F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 11/20 1.00
TACR1 P25103 10/20 0.80

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
SCHEMBL3083322 1.00 TACR2 (1.00) TACR2TACR1
SCHEMBL7462043 0.95 TACR2 (1.00) TACR2TACR1
SCHEMBL7804677 0.86 TACR1 (1.00) TACR2TACR1
SCHEMBL7814157 0.85 TACR1 (1.00) TACR2TACR1
SCHEMBL7814154 0.85 TACR1 (1.00) TACR2TACR1
Trifluoroacetic Acid SCHEMBL8472654 0.84 TACR1 (0.87) TACR2TACR1
SCHEMBL31061161 0.84 TACR1 (1.00) TACR2TACR1
SCHEMBL3094798 0.84 TACR1 (1.00) TACR2TACR1
SCHEMBL3094790 0.84 TACR1 (1.00) TACR2TACR1
SCHEMBL7813792 0.84 TACR1 (0.94) TACR2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090795-A1 Pharmaceutical Compositions Based on Nk2 Antagonists for Pediatric Use LABORATORI GUIDOTTI S.P.A. (IT) 2008-04-17 US claimed
EP-1809267-A1 PHARMACEUTICAL COMPOSITIONS BASED ON NK2 ANTAGONISTS FOR PEDIATRIC USE Laboratori Guidotti S.P.A. (IT) 2007-07-25 EP claimed
WO-2006045820-A1 PHARMACEUTICAL COMPOSITIONS BASED ON NK2 ANTAGONISTS FOR PEDIATRIC USE LABORATORI GUIDOTTI S.P.A. (IT) 2006-05-04 WO claimed
US-20100234284-A1 Pharmaceutical compositions based on NK2 antagonists for pediatric use ALEOTTI ALBERTO 2010-09-16 US disclosed
US-7727955-B2 Pharmaceutical compositions based on NK2 antagonists for pediatric use LABORATORI GUIDOTTI S.P.A. (IT) 2010-06-01 US disclosed
US-20080090795-A1 Pharmaceutical Compositions Based on Nk2 Antagonists for Pediatric Use LABORATORI GUIDOTTI S.P.A. (IT) 2008-04-17 US disclosed
EP-1809267-A1 PHARMACEUTICAL COMPOSITIONS BASED ON NK2 ANTAGONISTS FOR PEDIATRIC USE Laboratori Guidotti S.P.A. (IT) 2007-07-25 EP disclosed
WO-2006045820-A1 PHARMACEUTICAL COMPOSITIONS BASED ON NK2 ANTAGONISTS FOR PEDIATRIC USE LABORATORI GUIDOTTI S.P.A. (IT) 2006-05-04 WO disclosed