SCHEMBL3670119

SCHEMBL3670119

CC(C(O)I)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.58
ACKR3 P25106 1/20 0.49
CCR3 P51677 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47
CCR5 P51681 1/20 0.47
EPHX2 P34913 1/20 0.47

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
SCHEMBL4215482 0.85 SIGMAR1 (0.58) SIGMAR1ACKR3CCR3L3MBTL1POLB
SCHEMBL4215479 0.85 SIGMAR1 (0.58) SIGMAR1ACKR3CCR3L3MBTL1POLB
SCHEMBL3810819 0.83 SIGMAR1 (0.56) SIGMAR1ACKR3CCR3L3MBTL1POLB
SCHEMBL3810814 0.83 SIGMAR1 (0.56) SIGMAR1ACKR3CCR3L3MBTL1POLB
SCHEMBL5357866 0.79 LMNA (0.69) SIGMAR1POLBEPHX2
SCHEMBL13929427 0.78 SIGMAR1 (0.59) SIGMAR1CCR3CCR5
SCHEMBL13951400 0.75 SIGMAR1 (0.69) SIGMAR1CCR3L3MBTL1CCR5
SCHEMBL6988819 0.75 SIGMAR1 (0.66) SIGMAR1EPHX2
SCHEMBL13929425 0.74 CCR5 (0.68) SIGMAR1CCR3CCR5
SCHEMBL5862050 0.73 SIGMAR1 (1.00) SIGMAR1CCR3

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-2173715-A2 USE OF PIPERIDINE DERIVATIVES AS AGONISTS OF CHEMOKINE RECEPTOR ACTIVITY Euroscreen S.A. (BE) 2010-04-14 EP disclosed
WO-2009010478-A2 USE OF PIPERIDINE DERIVATIVES AS AGONISTS OF CHEMOKINE RECEPTOR ACTIVITY EUROSCREEN S.A. (BE) 2009-01-22 WO disclosed