SCHEMBL5862050

SCHEMBL5862050

O=C(Cc1ccc(F)cc1)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 1.00
CCR3 P51677 1/20 0.79

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
SCHEMBL8037825 1.00 SIGMAR1 (1.00) SIGMAR1CCR3
SCHEMBL5862113 0.92 SIGMAR1 (1.00) SIGMAR1
SCHEMBL8033707 0.89 SIGMAR1 (1.00) SIGMAR1CCR3
SCHEMBL4039839 0.89 SIGMAR1 (0.80) SIGMAR1CCR3
SCHEMBL18844268 0.88 CCR3 (1.00) SIGMAR1CCR3
SCHEMBL8035649 0.88 SIGMAR1 (1.00) SIGMAR1CCR3
SCHEMBL8035540 0.87 SIGMAR1 (1.00) SIGMAR1
SCHEMBL8037776 0.87 SIGMAR1 (1.00) SIGMAR1CCR3
SCHEMBL8035527 0.86 SIGMAR1 (1.00) SIGMAR1
SCHEMBL8023864 0.86 SIGMAR1 (1.00) SIGMAR1CCR3

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
US-7041667-B1 CCR5 modulators PFIZER, INC. (US) 2006-05-09 US disclosed
EP-1013276-A1 Aminoazacycloalkanes as CCR5 modulators PFIZER INC. (US) 2000-06-28 EP disclosed