SCHEMBL5862230

SCHEMBL5862230

COc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 1.00
TMEM97 Q5BJF2 1/20 0.72

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
SCHEMBL5862113 0.89 SIGMAR1 (1.00) SIGMAR1
SCHEMBL9872559 0.86 DRD4 (0.78) SIGMAR1
SCHEMBL24514573 0.85 POLB (0.74) SIGMAR1
SCHEMBL8037825 0.84 SIGMAR1 (1.00) SIGMAR1
SCHEMBL5862050 0.84 SIGMAR1 (1.00) SIGMAR1
SCHEMBL8035540 0.84 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL9727102 0.84 SIGMAR1 (0.72) SIGMAR1
SCHEMBL13929323 0.83 CCR5 (0.73) SIGMAR1
SCHEMBL5862025 0.83 SIGMAR1 (0.70) SIGMAR1TMEM97
SCHEMBL9727061 0.81 SIGMAR1 (0.74) SIGMAR1

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