SCHEMBL13148508

SCHEMBL13148508

C[N+](C)(Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1)C1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PYGL P06737 10/20 0.62
NHERF1 O14745 3/20 0.62
CCR2 P41597 7/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56

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
Iodide SCHEMBL3081990 0.99 PYGL (0.61) PYGLNHERF1CCR2MEN1KMT2A
Hydrochloric Acid SCHEMBL2926379 0.99 PYGL (0.61) PYGLNHERF1CCR2MEN1KMT2A
SCHEMBL13148361 0.91 CCR2 (0.69) PYGLNHERF1CCR2MEN1KMT2A
Iodide SCHEMBL17555143 0.90 CCR2 (0.68) PYGLNHERF1CCR2MEN1KMT2A
Hydrochloric Acid SCHEMBL315416 0.90 CCR2 (0.68) PYGLNHERF1CCR2MEN1KMT2A
SCHEMBL13148505 0.81 PYGL (0.62) PYGLNHERF1MEN1KMT2ARXFP1
SCHEMBL4461554 0.80 PYGL (0.56) PYGLNHERF1CCR2MEN1KMT2A
SCHEMBL4461560 0.80 PYGL (0.56) PYGLNHERF1CCR2MEN1KMT2A
SCHEMBL313476 0.80 CCR2 (0.72) CCR2MEN1KMT2A
SCHEMBL13148354 0.80 CCR2 (0.60) CCR2RXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765803-B1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
US-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US disclosed
US-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US disclosed