SCHEMBL3941397

SCHEMBL3941397

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
PLD1 Q13393 3/20 0.33
PLD2 O14939 2/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
SLC6A3 Q01959 1/20 0.31
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
RECQL P46063 1/20 0.31
SLC6A9 P48067 1/20 0.30

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
SCHEMBL3947164 0.89 CCR1 (0.38) ADAMTS5KDM1ARCOR1HTR1AHTR2A
Hydrochloric Acid SCHEMBL3945178 0.80 SLC18A3 (0.41) DPP4DPP8DPP9ADAMTS5HTR1A
SCHEMBL3941362 0.78 RORC (0.35) PLD1PLD2
SCHEMBL3945236 0.72 CCR1 (0.44) HTR1AHTR2A
SCHEMBL2159583 0.71 DPP4 (0.53) DPP4DPP8DPP9ADAMTS5
SCHEMBL2159587 0.71 DPP4 (0.53) DPP4DPP8DPP9ADAMTS5
Hydrochloric Acid SCHEMBL3940629 0.68 DRD2 (0.51) HTR1AHTR2A
SCHEMBL10292301 0.68 POLB (0.51) DPP4DPP8DPP9ADAMTS5
SCHEMBL18030199 0.66 CCR1 (0.47) DPP4DPP8DPP9ADAMTS5
SCHEMBL3941357 0.65 RORC (0.36) DPP4DPP8DPP9ADAMTS5KDM1A

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