SCHEMBL7822342

SCHEMBL7822342

O=C(Nc1ccc(F)cc1)N1CCC[C@H](CN2CCC(Cc3ccc(F)cc3)CC2)[C@H]1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 13/20 0.54
FAAH O00519 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
THRB P10828 1/20 0.49
ALOX12 P18054 1/20 0.49

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
SCHEMBL7824966 1.00 CCR3 (0.54) CCR3FAAHKMT2AMEN1THRB
SCHEMBL7822339 1.00 CCR3 (0.54) CCR3FAAHKMT2AMEN1THRB
SCHEMBL7829231 0.98 CCR3 (0.56) CCR3FAAH
SCHEMBL7825545 0.98 CCR3 (0.56) CCR3FAAH
SCHEMBL7820579 0.90 CCR3 (0.50) CCR3FAAH
SCHEMBL7820582 0.90 CCR3 (0.50) CCR3FAAH
SCHEMBL7813662 0.90 CCR3 (0.50) CCR3FAAH
SCHEMBL5347387 0.89 CCR3 (0.67) CCR3
SCHEMBL7821482 0.88 CCR3 (0.73) CCR3
SCHEMBL7821484 0.88 CCR3 (0.73) 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 5 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 claimed
WO-2000035877-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO claimed
US-6331545-B1 TREATING ASTHMA, ALLERGIC RHINITIS, ATOPIC DERMATITIS, AND INFLAMMATORY BOWEL DISEASES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-12-18 US disclosed
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