SCHEMBL8917689

SCHEMBL8917689

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

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 15/20 0.67
CCR3 P51677 16/20 0.65
OPRM1 P35372 1/20 0.56

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
SCHEMBL8921760 0.84 CCR3 (0.61) CCR1CCR3OPRM1
SCHEMBL8891618 0.81 CCR1 (0.79) CCR1CCR3
Hydrochloric Acid SCHEMBL8892006 0.81 CCR1 (0.77) CCR1CCR3
SCHEMBL7463390 0.80 CCR1 (1.00) CCR1CCR3
SCHEMBL8891231 0.80 CCR1 (1.00) CCR1CCR3OPRM1
Hydrochloric Acid SCHEMBL7460137 0.79 CCR1 (0.75) CCR1CCR3
SCHEMBL7466667 0.79 CCR1 (0.75) CCR1CCR3
SCHEMBL7459475 0.78 CCR3 (0.55) CCR1CCR3
SCHEMBL9105318 0.77 OPRM1 (0.87) CCR1CCR3OPRM1
SCHEMBL7461328 0.77 CCR3 (0.79) 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 1 patent. 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 disclosed