SCHEMBL8636699

SCHEMBL8636699

CCC(C1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)c2c(Cl)cccc2Cl)C1)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.40
TACR2 P21452 6/20 0.40
TACR1 P25103 5/20 0.40
OPRM1 P35372 1/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 4/20 0.38
SLC6A2 P23975 2/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.36
SLC6A9 P48067 1/20 0.35
KMT2A Q03164 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
SCHEMBL8355501 0.90 TACR2 (0.51) TACR2TACR1KMT2A
SCHEMBL8347396 0.88 TACR2 (0.48) TACR2TACR1
SCHEMBL8355974 0.86 CA12 (0.42) TACR2TACR1SLC6A4SLC6A3SLC6A2
SCHEMBL8350410 0.85 KMT2A (0.38) TACR2TACR1SLC6A4SLC6A3SLC6A2
SCHEMBL8355522 0.85 TACR2 (0.53) TACR2TACR1
SCHEMBL8355997 0.84 CCR4 (0.41) TACR2TACR1SLC6A9
SCHEMBL8350132 0.83 TACR2 (0.53) TACR2TACR1NPC1
SCHEMBL8356065 0.83 KMT2A (0.39) TACR2TACR1SLC6A4SLC6A3SLC6A2
SCHEMBL8349962 0.83 TACR2 (0.50) TACR2TACR1
SCHEMBL8348494 0.83 TACR2 (0.50) TACR2TACR1HPGDKMT2A

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-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed