SCHEMBL13565744

SCHEMBL13565744

Cc1csc(NCCCCCNS(=O)(=O)C(C)(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 19/20 0.48
▸ CYP2D6 P10635 1/20 0.43
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL13564790 0.84 NPY5R (0.47) NPY5RCYP2D6
SCHEMBL10113479 0.81 ALDH1A1 (0.50) NPC1RAB9A
SCHEMBL11935072 0.81 NPY5R (0.67) NPY5RCYP2D6NPC1RAB9A
SCHEMBL17089977 0.78 ALDH1A1 (0.46) NPY5RNPC1RAB9A
SCHEMBL24590345 0.76 RAB9A (0.57) NPY5RNPC1RAB9A
SCHEMBL13565525 0.76 NPY5R (0.54) NPY5RCYP2D6
SCHEMBL11934938 0.75 RAB9A (0.47) NPY5RNPC1RAB9A
SCHEMBL4099165 0.75 RAB9A (0.59) NPY5RNPC1RAB9A
SCHEMBL11935614 0.70 ALDH1A1 (0.46) NPY5RCYP2D6
SCHEMBL13565821 0.70 ALDH1A1 (0.49) RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 — — US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 — — US disclosed
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