SCHEMBL3945046

SCHEMBL3945046

CC(CCC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1)NC(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 14/20 0.68
DRD2 P14416 2/20 0.52
DRD4 P21917 2/20 0.52
DRD3 P35462 1/20 0.52
ACE2 Q9BYF1 1/20 0.51
CCR3 P51677 1/20 0.48
OPRM1 P35372 2/20 0.46
OPRL1 P41146 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
HRH2 P25021 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN5A Q14524 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL3950303 0.84 CCR1 (0.74) CCR1DRD2ACE2
SCHEMBL3941668 0.82 CCR1 (0.78) CCR1ACE2KCNH2
SCHEMBL10291923 0.81 CCR1 (1.00) CCR1KCNH2
SCHEMBL2160762 0.81 CCR1 (1.00) CCR1KCNH2
SCHEMBL2160090 0.80 CCR1 (1.00) CCR1DRD2ACE2
SCHEMBL2159067 0.80 CCR1 (1.00) CCR1DRD2ACE2
SCHEMBL3939960 0.80 CCR1 (0.67) CCR1KCNH2
SCHEMBL2160013 0.78 CCR1 (1.00) CCR1ACE2
SCHEMBL13210598 0.75 CCR1 (0.72) CCR1
SCHEMBL13210599 0.75 CCR1 (0.72) CCR1

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-2049486-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2009-04-22 EP disclosed
WO-2007092681-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed