SCHEMBL3345515

SCHEMBL3345515

CCCCCC(C#N)NC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
OPRM1 P35372 1/20 0.36
LMNA P02545 1/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
DNM1 Q05193 2/20 0.32
EPHX1 P07099 1/20 0.32
FDPS P14324 3/20 0.31
CTSS P25774 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
THRB P10828 1/20 0.30
GPR84 Q9NQS5 2/20 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
SCHEMBL13626088 0.98 TSHR (0.37) TSHROPRM1LMNAADH1BADH1C
SCHEMBL11464834 0.84 TSHR (0.40) TSHROPRM1LMNAADH1BADH1C
SCHEMBL6551643 0.83
SCHEMBL22097874 0.83
SCHEMBL12529371 0.80
SCHEMBL9853666 0.77 MAPT (0.38) OPRM1LMNAADH1BADH1CADH1A
SCHEMBL386813 0.77 OPRM1 (0.36) TSHROPRM1LMNAADH1BADH1C
SCHEMBL2321613 0.77 OPRM1 (0.36) OPRM1LMNAADH1BADH1CADH1A
SCHEMBL23388986 0.76 TSHR (0.42) TSHRDNM1FDPSCTSS
SCHEMBL9853678 0.76 MAPT (0.41) LMNAADH1BADH1CADH1AADH4

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-2010042391-A2 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-04-15 WO disclosed