SCHEMBL1684181

SCHEMBL1684181

O=C(c1cc2c(CCCc3ccccc3)c[nH]c2cn1)N(O)Cc1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MPO P05164 7/20 0.42
SLC6A4 P31645 2/20 0.42
MC3R P41968 9/20 0.40
MC4R P32245 7/20 0.40
MC5R P33032 8/20 0.40
OPRM1 P35372 1/20 0.39
ACHE P22303 1/20 0.39
SNCA P37840 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
SCHEMBL1684165 0.95 OPRM1 (0.40) MPOSLC6A4OPRM1ACHESNCA
SCHEMBL1684143 0.83 RIPK1 (0.42) MPOSLC6A4
SCHEMBL1684118 0.82 TDO2 (0.36) OPRM1ACHE
SCHEMBL1684122 0.81 RIPK1 (0.43) MPOSLC6A4
SCHEMBL1684139 0.80 TDO2 (0.40)
SCHEMBL2951128 0.72 GABRA1 (0.57)
SCHEMBL1684142 0.72 RIPK1 (0.43)
SCHEMBL1684138 0.72 MPO (0.37) MPOSLC6A4
SCHEMBL1684176 0.70 GABRA1 (0.36) MPOSLC6A4
SCHEMBL2945211 0.66 GABRA1 (0.60)

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-2011041512-A2 COMPOSITIONS AND METHODS FOR TREATING MLV-INFECTION, AND PREVENTING AND TREATING MLV-INITIATED DISEASES EMORY UNIVERSITY (US) 2011-04-07 WO disclosed