SCHEMBL23933922

SCHEMBL23933922

CNC1(c2cccc(I)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.47
OPRL1 P41146 8/20 0.47
OPRK1 P41145 1/20 0.47
OGFRL1 Q5TC84 2/20 0.35
BACE1 P56817 1/20 0.35
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
TACR1 P25103 1/20 0.33
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC6A2 P23975 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL16870100 0.78 OPRM1 (0.49) OPRM1OPRL1OPRK1HDAC3HDAC1
SCHEMBL13813863 0.77 SLC6A4 (0.53) OPRM1OPRL1OPRK1SLC6A4SLC6A3
SCHEMBL3224276 0.77 SLC6A4 (0.53) OPRM1OPRL1OPRK1OGFRL1SLC6A4
SCHEMBL16867371 0.77 OPRM1 (0.47) OPRM1OPRL1OPRK1OGFRL1SLC6A4
Hydrochloric Acid SCHEMBL28693173 0.76 OPRM1 (0.46) OPRM1OPRL1OPRK1BACE1HCAR3
Hydrochloric Acid SCHEMBL28693211 0.76 SLC6A4 (0.51) OPRM1OPRL1OPRK1OGFRL1SLC6A4
SCHEMBL5643705 0.75 OPRM1 (0.48) OPRM1OPRL1OPRK1OGFRL1
SCHEMBL1822928 0.74 OPRM1 (0.74) OPRM1OPRL1OPRK1OGFRL1SLC6A4
SCHEMBL16869995 0.74 OPRM1 (0.45) OPRM1OPRL1OPRK1BACE1TACR1
SCHEMBL16867369 0.74 OPRM1 (0.47) OPRM1OPRL1OPRK1BACE1HCAR3

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
EP-3087091-B1 VAR2CSA-DRUG CONJUGATES ZYMEWORKS INC (CA) 2021-10-20 EP disclosed