SCHEMBL19861600

SCHEMBL19861600

CNCCC(C)C(C)N(C)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 3/20 0.37
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32

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
SCHEMBL19861667 0.76 KISS1R (0.32) KISS1R
SCHEMBL19861659 0.74 KISS1R (0.33) KISS1R
SCHEMBL2736114 0.73
SCHEMBL13233640 0.73 USP2 (0.33) KISS1RCHRNB2CHRNA4CHRNB4
SCHEMBL14865512 0.71 KISS1R (0.46) KISS1R
SCHEMBL31170245 0.69 KISS1R (0.37) KISS1RCHRNB2CHRNA4CHRNB4
SCHEMBL1829813 0.67 KISS1R (0.37) KISS1RCHRNB2CHRNA4CHRNB4
SCHEMBL3830282 0.67 KISS1R (0.37) KISS1RCHRNB2CHRNA4CHRNB4
SCHEMBL12233190 0.67 CHRM2 (0.37)
SCHEMBL3687647 0.66 PRMT3 (0.36)

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-9891239-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2018-02-13 US disclosed