SCHEMBL4076129

SCHEMBL4076129

COc1cc(N2CCC(C(Cl)C=O)CC2)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 17/20 0.50
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL4074344 0.81 CCR1 (0.47) CCR1ALDH1A1LMNAMAPT
SCHEMBL2353510 0.80 ALDH1A1 (0.47) CCR1ALDH1A1LMNAMAPT
SCHEMBL27642379 0.77 CCR1 (0.47) CCR1ALDH1A1LMNAMAPT
SCHEMBL3817807 0.76 CCR1 (0.44) CCR1ALDH1A1LMNAMAPT
SCHEMBL3225431 0.76 CCR1 (0.52) CCR1MAPT
SCHEMBL3811823 0.76 ALDH1A1 (0.44) CCR1ALDH1A1LMNAMAPT
SCHEMBL3221137 0.76 LGMN (0.61) ALDH1A1LMNAMAPT
SCHEMBL3215648 0.75 NOTUM (0.59) CCR1
SCHEMBL30755065 0.75 NOTUM (0.59) CCR1
SCHEMBL4071812 0.75 CCR1 (0.49) CCR1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084146-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Brystol-Myers Squibb Company (US) 2009-08-05 EP disclosed
WO-2008042925-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-10 WO disclosed