SCHEMBL8974729

SCHEMBL8974729

CNCC(c1ccc(Cl)c(Cl)c1)N(C)CCN1CCC(NC(C)=O)(c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 4/20 0.61
TACR1 P25103 2/20 0.61
TACR3 P29371 16/20 0.50

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
SCHEMBL8970494 0.86 TACR2 (0.77) TACR2TACR1TACR3
SCHEMBL8972619 0.85 TACR2 (0.60) TACR2TACR1TACR3
SCHEMBL8970519 0.84 TACR2 (0.60) TACR2TACR1TACR3
SCHEMBL9119789 0.83 TACR2 (0.60) TACR2TACR1TACR3
SCHEMBL7312636 0.83 TACR2 (0.66) TACR2TACR1TACR3
Hydrochloric Acid SCHEMBL7751882 0.82 TACR2 (0.65) TACR2TACR1TACR3
SCHEMBL9118825 0.81 TACR2 (0.57) TACR2TACR1TACR3
SCHEMBL9287904 0.80 TACR2 (0.72) TACR2TACR1TACR3
SCHEMBL6588311 0.80 TACR2 (0.69) TACR2TACR1TACR3
SCHEMBL8970928 0.79 TACR2 (0.68) TACR2TACR1TACR3

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