SCHEMBL8355758

SCHEMBL8355758

CCC(C1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)Cc2ccccc2OC)C1)S(=O)(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 5/20 0.54
TACR1 P25103 4/20 0.54
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
SIGMAR1 Q99720 2/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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 0.86 TACR2 (0.53) TACR2TACR1TSHRHTT
SCHEMBL8355501 0.85 TACR2 (0.51) TACR2TACR1KMT2AMEN1
SCHEMBL8347206 0.81 TACR2 (0.51) TACR2TACR1
SCHEMBL8347396 0.80 TACR2 (0.48) TACR2TACR1CYP2C19
SCHEMBL8350232 0.80 TACR2 (0.52) TACR2TACR1KMT2AALDH1A1LMNA
SCHEMBL8348494 0.79 TACR2 (0.50) TACR2TACR1KMT2AMEN1ALDH1A1
SCHEMBL8349962 0.79 TACR2 (0.50) TACR2TACR1ALDH1A1TSHR
SCHEMBL8355522 0.79 TACR2 (0.53) TACR2TACR1ALDH1A1LMNA
SCHEMBL8808293 0.79 TACR2 (0.65) TACR2TACR1KMT2AMEN1
SCHEMBL8636699 0.78 SPR (0.40) TACR2TACR1KMT2A

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