SCHEMBL14723894

SCHEMBL14723894

O=C(O)Cn1nnc(-c2cnc(N3CCC4(C=C(c5ccc(OF)cc5)c5ccccc5O4)CC3)s2)n1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCD O00767 18/20 0.63

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
SCHEMBL3704517 0.93 SCD (0.67) SCD
SCHEMBL3696320 0.92 SCD (0.63) SCD
SCHEMBL6736518 0.92 SCD (0.63) SCD
SCHEMBL6782542 0.91 SCD (0.67) SCD
SCHEMBL3699800 0.91 SCD (0.67) SCD
SCHEMBL3699798 0.91 SCD (0.67) SCD
SCHEMBL6738110 0.91 SCD (0.59) SCD
SCHEMBL6736982 0.90 SCD (0.66) SCD
SCHEMBL6737862 0.90 SCD (0.66) SCD
SCHEMBL14723893 0.90 SCD (0.64) 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