SCHEMBL8355997

SCHEMBL8355997

CCC(C1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)c2ccccn2)C1)S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.41
TRPV3 Q8NET8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CCR8 P51685 1/20 0.37
KCNH2 Q12809 1/20 0.37
CCR1 P32246 1/20 0.37
TACR2 P21452 3/20 0.36
SLC6A9 P48067 1/20 0.36
DRD2 P14416 2/20 0.36
DRD1 P21728 1/20 0.36
GRM4 Q14833 1/20 0.36
TACR1 P25103 2/20 0.36
ABL1 P00519 1/20 0.36
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL8347396 0.86 TACR2 (0.48) TACR2TACR1HRH1
SCHEMBL8636699 0.84 SPR (0.40) TACR2SLC6A9TACR1
SCHEMBL8355974 0.82 CA12 (0.42) ALDH1A1GAASMN1; SMN2TACR2TACR1
SCHEMBL8350132 0.81 TACR2 (0.53) TACR2TACR1HRH1
SCHEMBL8350410 0.81 KMT2A (0.38) TACR2TACR1HRH1
SCHEMBL8355501 0.80 TACR2 (0.51) GAATACR2TACR1HRH1
SCHEMBL8348494 0.79 TACR2 (0.50) ALDH1A1TACR2TACR1
SCHEMBL8356065 0.79 KMT2A (0.39) ALDH1A1SMN1; SMN2TACR2TACR1
SCHEMBL8347573 0.79 USP2 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL8349962 0.79 TACR2 (0.50) ALDH1A1GAATACR2TACR1HRH1

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