SCHEMBL29932164

SCHEMBL29932164

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 16/20 0.51
▸ NPY1R P25929 10/20 0.51
▸ NPY5R Q15761 9/20 0.51
▸ NPY2R P49146 6/20 0.51
▸ NTSR2 O95665 1/20 0.45
▸ KDM1A O60341 1/20 0.45
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNB4 P30926 1/20 0.45
▸ CHRNA3 P32297 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45

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
SCHEMBL29876897 0.97 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2RNTSR2
SCHEMBL29859761 0.93 MAPK8 (0.47) NPY4RNPY1RNPY5RNPY2RKDM1A
SCHEMBL7174450 0.93 CTSC (0.49) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29387797 0.93 CTSC (0.49) NPY4RNPY1RNPY5RNPY2R
SCHEMBL7174455 0.93 CTSC (0.49) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29895402 0.93 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2RKDM1A
SCHEMBL7643912 0.93 KDM1A (0.49) NPY4RNPY1RNPY5RNPY2RKDM1A
SCHEMBL7643925 0.93 KDM1A (0.49) NPY4RNPY1RNPY5RNPY2RKDM1A
SCHEMBL30942554 0.92 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RNTSR2
SCHEMBL30540727 0.91 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2RNTSR2

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-11648293-B2 Compositions and methods for treating cancer BIOKINE THERAPEUTICS LTD. (IL) 2023-05-16 — — US disclosed
US-20220288155-A1 CXCR4 INHIBITOR FOR THE TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND VIRAL INFECTIONS BIOLINERX LTD. (IL) 2022-09-15 — — US disclosed
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