SCHEMBL13148367

SCHEMBL13148367

Cn1c(C(=O)Nc2ccc(C[N+](C)(C)C3CCCCC3)cc2)cc2cc(Cl)ccc21

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.63
CCR2 P41597 12/20 0.58
THRB P10828 1/20 0.47
ROCK1 Q13464 1/20 0.47
CCR5 P51681 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KDM1A O60341 1/20 0.43

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
SCHEMBL13148364 0.87 CCR2 (0.56) CCR2THRBROCK1CCR5
Iodide SCHEMBL17555161 0.87 CCR2 (0.55) CCR2THRBROCK1CCR5
Hydrochloric Acid SCHEMBL2907679 0.87 CCR2 (0.55) CCR2THRBROCK1CCR5
SCHEMBL313476 0.79 CCR2 (0.72) CCR2CCR5MEN1KMT2ALMNA
SCHEMBL13148354 0.79 CCR2 (0.60) RXFP1CCR2THRBCCR5
Hydrochloric Acid SCHEMBL313399 0.78 CCR2 (0.70) CCR2CCR5MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL2907331 0.78 CCR2 (0.59) RXFP1CCR2THRBCCR5
SCHEMBL13148359 0.78 CCR2 (0.65) CCR2CCR5
SCHEMBL13148508 0.78 PYGL (0.62) RXFP1CCR2MEN1KMT2A
Iodide SCHEMBL17555127 0.78 CCR2 (0.59) RXFP1CCR2THRBCCR5

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-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US disclosed