SCHEMBL8355606

SCHEMBL8355606

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(CCNC(=O)C2(c3ccccc3)CCNCC2)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.53
TACR2 P21452 12/20 0.51
TACR3 P29371 2/20 0.47
HRH1 P35367 1/20 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
SCHEMBL8355521 0.91 TACR2 (0.61) TACR1TACR2TACR3HRH1
SCHEMBL8356150 0.90 TACR2 (0.52) TACR1TACR2TACR3HRH1
SCHEMBL8353464 0.89 TACR2 (0.56) TACR1TACR2TACR3HRH1
SCHEMBL8352466 0.88 TACR2 (0.53) TACR1TACR2TACR3HRH1
SCHEMBL8352630 0.87 TACR2 (0.49) TACR1TACR2TACR3HRH1
SCHEMBL8351114 0.87 TACR2 (0.65) TACR1TACR2TACR3HRH1
SCHEMBL8347318 0.86 TACR2 (0.55) TACR1TACR2TACR3HRH1
SCHEMBL8353144 0.85 TACR2 (0.58) TACR1TACR2TACR3HRH1
SCHEMBL1421506 0.85 TACR2 (0.66) TACR1TACR2TACR3HRH1
SCHEMBL8636573 0.85 TACR2 (0.66) TACR1TACR2TACR3HRH1

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
US-5861416-A TREATMENT OF ASTHMA OR COUGH MERRELL PHARMACEUTICALS INC. (US) 1999-01-19 US disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed