SCHEMBL7675286

SCHEMBL7675286

NCCCN1CCC2(CC1)c1ccccc1[S+]([O-])c1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL7675434 0.80 SIGMAR1 (0.50) SIGMAR1CYP2D6
SCHEMBL7678255 0.77 SIGMAR1 (0.46) SIGMAR1CYP2D6
SCHEMBL7675298 0.77 SIGMAR1 (0.46) SIGMAR1CYP2D6
SCHEMBL7675331 0.75 DRD2 (0.54) SIGMAR1
SCHEMBL7678975 0.74 SIGMAR1 (0.44) SIGMAR1CYP2D6
SCHEMBL6195779 0.73 SIGMAR1 (0.57) SIGMAR1CYP2D6
SCHEMBL7672939 0.71 CYP1A2 (0.42) SIGMAR1CYP2D6
SCHEMBL7675101 0.70 SIGMAR1 (0.40) SIGMAR1CYP2D6
SCHEMBL7675117 0.70 DRD2 (0.42) SIGMAR1CYP2D6
SCHEMBL14298470 0.70 SIGMAR1 (0.74) SIGMAR1CYP2D6

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
US-6387893-B1 ADRENERGIC BLOCKING AGENT; BENIGN PROSATATIC HYPERPLASIA MERCK & CO., INC. 2002-05-14 US disclosed