SCHEMBL8798608

SCHEMBL8798608

O=C(CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)N1CCc2ccccc2C1.O=CCC(CC(=O)N1CCc2ccccc2C1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 11/20 0.54
TACR1 P25103 6/20 0.54

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
SCHEMBL7811276 0.94 TACR2 (0.59) TACR2TACR1
SCHEMBL7807799 0.85 DPP8 (0.49)
SCHEMBL7873296 0.83 TACR2 (0.63) TACR2TACR1
SCHEMBL7812039 0.79 TACR2 (0.58) TACR2TACR1
SCHEMBL7870014 0.78 TACR2 (0.59) TACR2TACR1
SCHEMBL7815384 0.78 HTT (0.53)
Hydrochloric Acid SCHEMBL7871907 0.78 TACR2 (0.58) TACR2TACR1
SCHEMBL7802989 0.75 TACR2 (0.59) TACR2TACR1
SCHEMBL7864552 0.74 TACR2 (0.65) TACR2TACR1
SCHEMBL8588638 0.74 TACR2 (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773929-A1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1997-05-21 EP disclosed
WO-1996039386-A1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-12-12 WO disclosed