SCHEMBL6334672

SCHEMBL6334672

Cc1cc2cccc([C@H]3CCN(Cc4ccccc4)C[C@H]3C)c2o1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
ACHE P22303 5/20 0.42
BCHE P06276 5/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BACE1 P56817 3/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
SCN4A P35499 2/20 0.38
CCR5 P51681 1/20 0.38

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
SCHEMBL6334669 1.00 SIGMAR1 (0.43) SIGMAR1ACHEBCHEMEN1KMT2A
SCHEMBL6334664 1.00 SIGMAR1 (0.43) SIGMAR1ACHEBCHEMEN1KMT2A
SCHEMBL6339674 1.00 SIGMAR1 (0.43) SIGMAR1ACHEBCHEMEN1KMT2A
SCHEMBL6339678 1.00 SIGMAR1 (0.43) SIGMAR1ACHEBCHEMEN1KMT2A
SCHEMBL6335107 0.82 HTR1A (0.47) SIGMAR1ACHEBCHEMEN1KMT2A
SCHEMBL6333319 0.77 DRD2 (0.42) SIGMAR1ACHEBCHEBACE1DRD2
SCHEMBL6333322 0.77 DRD2 (0.42) SIGMAR1ACHEBCHEBACE1DRD2
SCHEMBL6333323 0.77 DRD2 (0.42) SIGMAR1ACHEBCHEBACE1DRD2
SCHEMBL7141126 0.77 SIGMAR1 (0.48) SIGMAR1ACHEBCHEMEN1KMT2A
SCHEMBL7141118 0.77 SIGMAR1 (0.48) SIGMAR1ACHEBCHEMEN1KMT2A

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-6881733-B1 Serotonergic benzofurans ELI LILLY AND COMPANY (US) 2005-04-19 US disclosed
EP-1204659-B1 SEROTONERGIC BENZOFURANS LILLY CO ELI (US) 2003-11-26 EP disclosed