SCHEMBL8425243

SCHEMBL8425243

NC(=O)C(CCC(Cn1cnnc1-c1ccccc1)c1ccc(Cl)c(Cl)c1)C1(c2ccccc2)CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 6/20 0.34
TACR1 P25103 2/20 0.34
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31

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
SCHEMBL6159385 0.76 L3MBTL1 (0.37) TACR2SLC6A2SLC6A4SLC6A3
SCHEMBL6160860 0.74 TACR2 (0.62) TACR2TACR1
SCHEMBL6159549 0.73 TACR2 (0.41) TACR2
SCHEMBL6160308 0.71 TSHR (0.35) TACR2
Hydrochloric Acid SCHEMBL8425482 0.71 SLC6A2 (0.34) TACR2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL8425483 0.69 MCHR1 (0.33) TACR2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6158780 0.67 TACR2 (0.44) TACR2
Hydrochloric Acid SCHEMBL6159104 0.61 TACR2 (0.55) TACR2TACR1
SCHEMBL8425245 0.61 ADRA1D (0.39) TACR2TACR1
SCHEMBL6158768 0.61 CA12 (0.42) TACR2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5889024-A Substituted heterocycles ZENECA LIMITED (GB) 1999-03-30 US disclosed