SCHEMBL7823189

SCHEMBL7823189

O=C(NC12CC3CC(CC(C3)C1)C2)N1CCCC(CN2CCC(Cc3ccccc3)CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.57
HSD11B1 P28845 2/20 0.56
EPHX1 P07099 2/20 0.51
EPHX2 P34913 2/20 0.51
FKBP1A P62942 4/20 0.48
GRM5 P41594 1/20 0.48
GRM7 Q14831 1/20 0.48
GRM3 Q14832 1/20 0.48
CNR2 P34972 1/20 0.46
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45

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
SCHEMBL5353568 0.89 HSD11B1 (0.56) CCR3HSD11B1EPHX1EPHX2CNR2
SCHEMBL7814141 0.81 CCR3 (0.77) CCR3HSD11B1GRM5GRM7GRM3
SCHEMBL7823461 0.77 CCR3 (0.59) CCR3HSD11B1
SCHEMBL7814197 0.75 CCR3 (0.77) CCR3
SCHEMBL13873302 0.75 EPHX2 (0.55) EPHX1EPHX2CNR2
SCHEMBL5351408 0.73 CCR3 (1.00) CCR3
SCHEMBL6331510 0.73 CCR3 (0.81) CCR3EPHX1EPHX2
SCHEMBL6337374 0.72 CCR3 (0.77) CCR3EPHX1EPHX2TMEM97
SCHEMBL6338952 0.72 EPHX2 (0.55) CCR3EPHX1EPHX2
SCHEMBL6407882 0.72 CCR3 (0.65) CCR3EPHX1EPHX2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140834-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP claimed
WO-2000035877-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO claimed
EP-1140834-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000035877-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO disclosed