SCHEMBL7814744

SCHEMBL7814744

O=C(OCc1ccccc1)N1CCC[C@@H](CN2CCC(Cc3ccc(F)cc3)CC2)[C@H]1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
CCR3 P51677 8/20 0.46

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
SCHEMBL7822361 1.00 MEN1 (0.47) MEN1KMT2APOLBCCR3
SCHEMBL7825545 0.83 CCR3 (0.56) CCR3
SCHEMBL7829231 0.83 CCR3 (0.56) CCR3
SCHEMBL7822342 0.83 CCR3 (0.54) MEN1KMT2ACCR3
SCHEMBL7824966 0.83 CCR3 (0.54) MEN1KMT2ACCR3
SCHEMBL7822339 0.83 CCR3 (0.54) MEN1KMT2ACCR3
SCHEMBL5352298 0.79 CCR3 (0.56) MEN1KMT2APOLBCCR3
SCHEMBL7820582 0.78 CCR3 (0.50) CCR3
SCHEMBL7820579 0.78 CCR3 (0.50) CCR3
SCHEMBL7813662 0.78 CCR3 (0.50) CCR3

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
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