SCHEMBL6986639

SCHEMBL6986639

[CH2]N1CCC[C@@H](Cc2ccc(F)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 8/20 0.44
MAOB P27338 1/20 0.44
CYP2D6 P10635 4/20 0.41
STAT3 P40763 1/20 0.40

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
SCHEMBL12090432 0.82 CYP2D6 (0.47) CCR3MAOBCYP2D6
SCHEMBL6986640 0.82 CYP2D6 (0.47) CCR3MAOBCYP2D6
SCHEMBL21216506 0.82 CYP2D6 (0.47) CCR3MAOBCYP2D6
SCHEMBL21216483 0.80 CYP2D6 (0.50) CCR3CYP2D6
SCHEMBL14983625 0.80 CYP2D6 (0.50) CCR3CYP2D6
SCHEMBL21216481 0.80 CYP2D6 (0.50) CCR3CYP2D6
SCHEMBL22470627 0.78 CCR3 (0.45) CCR3MAOBCYP2D6
SCHEMBL6970404 0.78 CCR3 (0.45) CCR3MAOBCYP2D6
SCHEMBL16600579 0.78 ALDH1A1 (0.50) CCR3CYP2D6
SCHEMBL22623880 0.77 CCR3 (0.42) CCR3MAOBCYP2D6

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-1296978-A2 N-UREIDOHETEROCYCLOAKLYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-02 EP disclosed
WO-2002002525-A2 N-UREIDOHETEROCYCLOAKLYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-10 WO disclosed