SCHEMBL8037819

SCHEMBL8037819

O=C(Cc1ccccc1)NC1CCN(Cc2cccc(I)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 1.00
CCR8 P51685 1/20 0.71

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
SCHEMBL8035540 0.88 SIGMAR1 (1.00) SIGMAR1
SCHEMBL5862113 0.87 SIGMAR1 (1.00) SIGMAR1
SCHEMBL8035649 0.85 SIGMAR1 (1.00) SIGMAR1CCR8
SCHEMBL6499380 0.83 CCR8 (1.00) SIGMAR1CCR8
SCHEMBL9592418 0.83 DRD4 (0.79) SIGMAR1
SCHEMBL7218037 0.82 SIGMAR1 (1.00) SIGMAR1
SCHEMBL8023864 0.82 SIGMAR1 (1.00) SIGMAR1
SCHEMBL15687780 0.81 SIGMAR1 (0.67) SIGMAR1
SCHEMBL18657711 0.81 SIGMAR1 (0.76) SIGMAR1
SCHEMBL18657854 0.80 KMT2A (0.78) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000071171-A2 SIGMA-1 LIGANDS FOR DETERMINING CARCINOMA PROLIFERATIVE STATUS WAKE FOREST UNIVERSITY (US) 2000-11-30 WO disclosed