SCHEMBL18901807

SCHEMBL18901807

O=C(C1CCC(NC2CCOCC2)C1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.61
AKR1C3 P42330 1/20 0.55
EPHX2 P34913 5/20 0.52
CCR5 P51681 1/20 0.49
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
NOTUM Q6P988 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL18901424 0.90 CCR2 (0.60) CCR2AKR1C3EPHX2CCR5TDP1
SCHEMBL18901610 0.89 POLB (0.64) CCR2CCR5POLBSMN1; SMN2ALDH1A1
SCHEMBL18901533 0.89 POLB (0.64) CCR2CCR5POLBSMN1; SMN2ALDH1A1
SCHEMBL18901612 0.82 AKR1C3 (0.57) CCR2AKR1C3EPHX2CCR5SMN1; SMN2
SCHEMBL18901526 0.79 CCR2 (0.64) CCR2EPHX2CCR5POLBNAMPT
SCHEMBL14100727 0.79 CCR2 (0.63) CCR2EPHX2
SCHEMBL19337949 0.79 CCR2 (0.63) CCR2EPHX2
SCHEMBL18901614 0.76 CCR2 (0.67) CCR2CCR5POLB
SCHEMBL18901618 0.76 CCR2 (0.67) CCR2CCR5POLB
SCHEMBL13361937 0.75 CCR2 (0.84) CCR2CCR5

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