SCHEMBL7922568

SCHEMBL7922568

CC(CN1CCCN(Cc2ccc(S(C)(=O)=O)cc2)CC1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.59
LMNA P02545 1/20 0.53

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
SCHEMBL7924209 0.84 POLB (0.56)
SCHEMBL6770131 0.81 CCR2 (0.78) CCR2LMNA
SCHEMBL8458456 0.80 CCR2 (0.65) CCR2LMNA
SCHEMBL8236801 0.78 HRH3 (0.64) CCR2LMNA
SCHEMBL5744087 0.75 SIGMAR1 (0.60)
SCHEMBL5742983 0.75 SIGMAR1 (0.60)
SCHEMBL6770077 0.75 CCR2 (0.65) CCR2LMNA
SCHEMBL23886340 0.74 ALDH1A1 (0.66) LMNA
SCHEMBL23886134 0.74 ALDH1A1 (0.66) LMNA
SCHEMBL23886205 0.74 ALDH1A1 (0.66) LMNA

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-0914319-B1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LTD (JP) 2001-11-21 EP disclosed