SCHEMBL15926546

SCHEMBL15926546

N#Cc1cc(C(=O)NCc2ccc(S(=O)(=O)NC3CCNCC3)cc2)c2ccn(-c3ccc(F)cc3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.40
RXFP1 Q9HBX9 2/20 0.39
MAPT P10636 2/20 0.38
NAMPT P43490 1/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
RORC P51449 1/20 0.37
EPHX2 P34913 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL1877178 0.91 CCR1 (0.43) CCR1RXFP1MAPTNAMPTLMNA
SCHEMBL12670782 0.79 CCR1 (0.44) CCR1RXFP1MAPTNAMPTLMNA
SCHEMBL1135677 0.79 CCR1 (0.57) CCR1RORC
SCHEMBL1886533 0.77 CCR1 (0.58) CCR1LMNAKDM4EHTTGAA
SCHEMBL1874628 0.75 CCR1 (0.57) CCR1LMNAKDM4EHTTSMN1; SMN2
SCHEMBL1875936 0.75 KDM4E (0.41) CCR1LMNAKDM4EHTTSMN1; SMN2
SCHEMBL1880010 0.74 CCR1 (0.44) CCR1LMNAKDM4EHTTRORC
SCHEMBL1896198 0.73 CCR1 (0.57) CCR1MAPTLMNARORC
SCHEMBL1874395 0.73 CCR1 (0.56) CCR1MAPTLMNARORCTP53
SCHEMBL1135767 0.72 CCR1 (0.73) CCR1RORC

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
EP-2493875-B1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed