SCHEMBL14723893

SCHEMBL14723893

O=C(O)Cn1nnc(-c2nnc(N3CCC4(C=C(c5ccc(OF)cc5)c5ccccc5O4)CC3)s2)n1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCD O00767 18/20 0.64
OPRD1 P41143 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3706923 0.93 SCD (0.66) SCDOPRD1KCNH2
SCHEMBL6737464 0.92 SCD (0.63) SCD
SCHEMBL3697646 0.92 SCD (0.66) SCDOPRD1KCNH2
SCHEMBL3697648 0.92 SCD (0.66) SCDOPRD1KCNH2
SCHEMBL6783363 0.92 SCD (0.66) SCDOPRD1KCNH2
SCHEMBL6737763 0.91 SCD (0.60) SCDOPRD1KCNH2
SCHEMBL14723894 0.90 SCD (0.63) SCD
SCHEMBL6737497 0.87 SCD (0.67) SCD
SCHEMBL6737345 0.87 SCD (0.66) SCD
SCHEMBL3708364 0.87 SCD (0.66) SCD

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-8383643-B2 Spiro compounds useful as inhibitors of stearoyl-coenzyme A delta-9 desaturase MERCK CANADA INC. (CA) 2013-02-26 US disclosed