SCHEMBL6970404

SCHEMBL6970404

O=CN1CCC[C@@H](Cc2ccc(F)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 7/20 0.45
MAOB P27338 1/20 0.42
CYP2D6 P10635 2/20 0.41

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
SCHEMBL22470627 1.00 CCR3 (0.45) CCR3MAOBCYP2D6
SCHEMBL17754054 0.83 MEN1 (0.48)
SCHEMBL6986640 0.80 CYP2D6 (0.47) CCR3MAOBCYP2D6
SCHEMBL21216506 0.80 CYP2D6 (0.47) CCR3MAOBCYP2D6
SCHEMBL12090432 0.80 CYP2D6 (0.47) CCR3MAOBCYP2D6
SCHEMBL6986639 0.78 CCR3 (0.44) CCR3MAOBCYP2D6
SCHEMBL21763293 0.78 TACR3 (0.55) CCR3
SCHEMBL4957233 0.77 ALDH1A1 (0.51) CCR3
SCHEMBL21358908 0.77 ALDH1A1 (0.51) CCR3
SCHEMBL31307968 0.77 SLC6A2 (0.48) CCR3MAOB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296949-A2 PIPERIDINE AMIDES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-04-02 EP claimed
WO-2001098268-A2 PIPERIDINE AMIDES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO claimed
EP-1296949-A2 PIPERIDINE AMIDES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-04-02 EP disclosed
WO-2001098268-A2 PIPERIDINE AMIDES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed