SCHEMBL14313698

SCHEMBL14313698

CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 15/20 0.65
PKM P14618 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
SIGMAR1 Q99720 1/20 0.56
DPP7 Q9UHL4 1/20 0.52
SLC6A12 P48065 1/20 0.50

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
SCHEMBL14306232 0.88 CCR1 (0.75) CCR1
SCHEMBL14304108 0.88 CCR1 (0.71) CCR1PKMHTTSMN1; SMN2
SCHEMBL4271715 0.87 CCR1 (0.63) CCR1PKMHTTSMN1; SMN2
SCHEMBL14313718 0.86 CCR1 (0.68) CCR1PKMHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL4411645 0.84 CCR1 (0.68) CCR1PKMHTTSMN1; SMN2
SCHEMBL14306244 0.84 CCR1 (0.71) CCR1PKMHTTSMN1; SMN2
SCHEMBL14313684 0.80 CCR1 (0.68) CCR1PKMHTTSMN1; SMN2
SCHEMBL14313695 0.79 CCR1 (0.64) CCR1HTTSMN1; SMN2
SCHEMBL14306248 0.79 CCR1 (0.64) CCR1HTTSMN1; SMN2
SCHEMBL14313707 0.79 CCR1 (0.64) CCR1PKMHTTSMN1; SMN2

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
WO-2008011392-A2 PROLINE UREA CCR1 ANTAGONISTS FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR INFLAMMATION LIGAND PHARMACUETICALS INCORPORATED (US) 2008-01-24 WO disclosed