SCHEMBL23750093

SCHEMBL23750093

N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC=O)NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA1 P02708 3/20 0.42
▸ CHRNG P07510 3/20 0.42
▸ CHRNB1 P11230 3/20 0.42
▸ CHRND Q07001 3/20 0.42
▸ MC4R P32245 5/20 0.41
▸ GRIA1 P42261 1/20 0.41
▸ NPY4R P50391 3/20 0.41
▸ NPY1R P25929 2/20 0.41
▸ NPY2R P49146 2/20 0.41
▸ NPY5R Q15761 2/20 0.41
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40
▸ TUBB8 Q3ZCM7 1/20 0.40
▸ TUBA3E Q6PEY2 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
SCHEMBL23750092 0.96 CHRNA1 (0.47) CHRNA1CHRNGCHRNB1CHRNDMC4R
SCHEMBL23750222 0.84 MC4R (0.45) MC4RGRIA1TUBB4ATUBBTUBA3C
SCHEMBL23750209 0.83 C5AR1 (0.47) CHRNA1CHRNGCHRNB1CHRNDMC4R
SCHEMBL23750214 0.83 APLNR (0.49) CHRNA1CHRNGCHRNB1CHRNDGRIA1
SCHEMBL24991506 0.80 CHRNA1 (0.51) CHRNA1CHRNGCHRNB1CHRNDGRIA1
SCHEMBL24991032 0.78 C5AR1 (0.51) MC4RTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL23750071 0.78 MC4R (0.56) MC4RC5AR1
SCHEMBL22339066 0.77 NPY4R (0.51) MC4RNPY4RNPY1RNPY2RNPY5R
SCHEMBL22485383 0.77 NPY4R (0.51) MC4RNPY4RNPY1RNPY2RNPY5R
SCHEMBL24919552 0.76 NPY4R (0.57) NPY4RNPY1RNPY2RNPY5RPRKACB

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
WO-2021158463-A1 DIAMINE-LINKED RECEPTOR-SPECIFIC CYCLIC PEPTIDES PALATIN TECHNOLOGIES, INC. (US) 2021-08-12 — — WO disclosed
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