SCHEMBL8350232

SCHEMBL8350232

CCC(C1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)c2ccc(OC)cc2OC)C1)S(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 11/20 0.52
TACR1 P25103 10/20 0.52
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HSD11B1 P28845 1/20 0.37
TACR3 P29371 1/20 0.37
HRH1 P35367 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8350132 0.90 TACR2 (0.53) TACR2TACR1HTTTSHRTACR3
SCHEMBL8348494 0.88 TACR2 (0.50) TACR2TACR1TSHRALDH1A1KMT2A
SCHEMBL8349962 0.86 TACR2 (0.50) TACR2TACR1TSHRTACR3HRH1
SCHEMBL8355522 0.85 TACR2 (0.53) TACR2TACR1LMNAALDH1A1
SCHEMBL8355501 0.85 TACR2 (0.51) TACR2TACR1TACR3HRH1KMT2A
SCHEMBL8347206 0.84 TACR2 (0.51) TACR2TACR1TACR3HRH1
SCHEMBL8636699 0.80 SPR (0.40) TACR2TACR1KMT2A
SCHEMBL8355974 0.80 CA12 (0.42) TACR2TACR1HTTLMNAMAPT
SCHEMBL8347396 0.80 TACR2 (0.48) TACR2TACR1TACR3HRH1
SCHEMBL8355758 0.80 TACR2 (0.54) TACR2TACR1HTTTSHRLMNA

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