SCHEMBL18901699

SCHEMBL18901699

NC1CCC(C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
DPP4 P27487 1/20 0.45
DPP9 Q86TI2 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
PHGDH O43175 3/20 0.43
HTR1A P08908 2/20 0.43
DGAT2 Q96PD7 1/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
POLB P06746 1/20 0.42
OPRM1 P35372 1/20 0.42
ACACB O00763 2/20 0.42
DRD4 P21917 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
CCR2 P41597 2/20 0.41

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
SCHEMBL15291858 0.84 HRH3 (0.51) HRH3DPP4DPP9DPP7DRD2
Hydrochloric Acid SCHEMBL3331239 0.82 HRH3 (0.52) HRH3DRD2DRD3PHGDHHTR1A
SCHEMBL18901695 0.81 PKM (0.53) CCR2KCNH2CCR5
SCHEMBL18544728 0.80 HRH3 (0.53) HRH3DPP4DPP9DPP7DRD2
SCHEMBL4322431 0.80 CCR2 (0.53) HRH3DPP4DPP9DPP7DRD2
SCHEMBL28773706 0.78 HRH3 (0.55) HRH3DPP4DPP9DPP7DRD2
SCHEMBL3859907 0.77 HRH3 (0.51) HRH3DGAT2POLBACACBCCR2
SCHEMBL18901634 0.77 MAPT (0.50) HRH3DPP4DPP7POLBCCR2
SCHEMBL1351805 0.76 HTR3E (0.60) HRH3DPP4DPP9DPP7DRD2
SCHEMBL31381344 0.76 KDM4E (0.57) HRH3DPP4DPP9DPP7DRD2

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
EP-1763351-B9 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2017-05-31 EP disclosed