SCHEMBL3945236

SCHEMBL3945236

CC(CN1CCC(O)(c2ccc(F)cc2)C(C)(C)C1)C(N)C=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.44
DRD2 P14416 6/20 0.35
NR1I2 O75469 1/20 0.35
TSHR P16473 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
ADRA1B P35368 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL1665509 0.89 CCR1 (0.56) CCR1NR1I2
Hydrochloric Acid SCHEMBL3949509 0.88 CCR1 (0.55) CCR1NR1I2
Hydrochloric Acid SCHEMBL3942169 0.80 CCR1 (0.41) CCR1HTR2AHTR2CHRH1
SCHEMBL3645828 0.76 CCR1 (0.58) CCR1NR1I2
SCHEMBL11903716 0.74 CCR1 (0.61) CCR1
SCHEMBL3943994 0.73 CCR1 (0.57) CCR1NR1I2
SCHEMBL2159774 0.73 CCR1 (0.54) CCR1NR1I2
SCHEMBL2159780 0.73 CCR1 (0.54) CCR1NR1I2
SCHEMBL2159776 0.73 CCR1 (0.54) CCR1NR1I2
SCHEMBL3941397 0.72 DPP4 (0.37) HTR1AHTR2A

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