SCHEMBL8973884

SCHEMBL8973884

CC(=O)NC1(c2ccccc2)CCN(CCOC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)Cc3cccc(OC(C)C)c3)C2)CC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.57
TACR1 P25103 2/20 0.57
TACR3 P29371 3/20 0.47

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
SCHEMBL8562105 0.83 TACR1 (0.54) TACR2TACR1
SCHEMBL8969610 0.83 TACR3 (0.57) TACR2TACR1TACR3
SCHEMBL8969597 0.81 TACR2 (0.53) TACR2TACR1
SCHEMBL8564434 0.80 TACR1 (0.51) TACR2TACR1
SCHEMBL8970921 0.79 TACR2 (0.51) TACR2TACR1
SCHEMBL8969406 0.77 TACR3 (0.51) TACR2TACR1TACR3
Water SCHEMBL8559085 0.77 TACR1 (0.48) TACR2TACR1
SCHEMBL8969398 0.77 TACR3 (0.57) TACR2TACR1TACR3
Hydrochloric Acid SCHEMBL8369121 0.76 TACR2 (0.70) TACR2TACR1
Hydrochloric Acid SCHEMBL8366950 0.75 TACR2 (0.74) 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-0700386-A1 NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1996-03-13 EP disclosed
WO-1995026338-A1 NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1995-10-05 WO disclosed