SCHEMBL8520359

SCHEMBL8520359

CCOCCn1c(CC2CCN(CCC(CN(C)C(=O)c3cc(C4C=NN=N4)ccc3OC)c3ccc(Cl)c(Cl)c3)CC2)nc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 20/20 0.46
TACR1 P25103 1/20 0.42
TACR3 P29371 1/20 0.42

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
SCHEMBL7472253 0.91 HRH1 (0.50) TACR2
SCHEMBL7496291 0.90 TACR2 (0.45) TACR2TACR1TACR3
SCHEMBL6596524 0.89 TACR2 (0.43) TACR2
SCHEMBL7467147 0.85 HRH1 (0.44) TACR2
SCHEMBL7503211 0.85 TACR2 (0.42) TACR2TACR1TACR3
SCHEMBL7494958 0.84 TACR2 (0.44) TACR2TACR1TACR3
SCHEMBL7470419 0.84 HRH1 (0.48) TACR2TACR1
SCHEMBL6597632 0.83 TACR2 (0.41) TACR2
SCHEMBL7499569 0.83 TACR2 (0.43) TACR2TACR1TACR3
SCHEMBL7464003 0.83 TACR2 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998439-A RESPIRATORY SYSTEM DISORDERS Hoescht Marion Roussel, Inc. (US) 1999-12-07 US disclosed