SCHEMBL8891618

SCHEMBL8891618

O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)C1CCNCC1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 16/20 0.79
CCR3 P51677 19/20 0.72

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
Hydrochloric Acid SCHEMBL8892006 0.99 CCR1 (0.77) CCR1CCR3
Hydrochloric Acid SCHEMBL8891717 0.91 CCR3 (0.71) CCR1CCR3
Hydrochloric Acid SCHEMBL8892177 0.90 CCR3 (0.70) CCR1CCR3
Hydrochloric Acid SCHEMBL8892220 0.89 CCR3 (0.67) CCR1CCR3
Hydrochloric Acid SCHEMBL8891923 0.89 CCR3 (0.66) CCR1CCR3
Hydrochloric Acid SCHEMBL8892899 0.88 CCR3 (0.66) CCR1CCR3
SCHEMBL7463390 0.88 CCR1 (1.00) CCR1CCR3
Hydrochloric Acid SCHEMBL8893866 0.88 CCR3 (0.73) CCR1CCR3
Hydrochloric Acid SCHEMBL8907853 0.88 CCR3 (0.72) CCR1CCR3
Hydrochloric Acid SCHEMBL7460137 0.87 CCR1 (0.75) CCR1CCR3

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
WO-1997024325-A1 DIPHENYLMETHANE DERIVATIVES AS MIP-1α/RANTES RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-10 WO claimed
WO-1997024325-A1 DIPHENYLMETHANE DERIVATIVES AS MIP-1α/RANTES RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-10 WO disclosed