SCHEMBL29534236

SCHEMBL29534236

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 7/20 0.55
▸ C5AR1 P21730 1/20 0.47
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB3 Q13509 1/20 0.47
▸ TUBB2A Q13885 1/20 0.47
▸ TUBB8 Q3ZCM7 1/20 0.47
▸ TUBA3E Q6PEY2 1/20 0.47
▸ TUBA1A Q71U36 1/20 0.47
▸ TUBA1C Q9BQE3 1/20 0.47
▸ TUBB6 Q9BUF5 1/20 0.47
▸ TUBB2B Q9BVA1 1/20 0.47
▸ TUBB1 Q9H4B7 1/20 0.47
▸ OPRM1 P35372 3/20 0.47
▸ OPRD1 P41143 3/20 0.47
▸ OPRK1 P41145 3/20 0.47

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
SCHEMBL31555131 0.99 MC4R (0.56) MC4RC5AR1TUBB4ATUBBTUBA3C
SCHEMBL31555134 0.99 MC4R (0.56) MC4RC5AR1TUBB4ATUBBTUBA3C
SCHEMBL31555125 0.97 MC4R (0.56) MC4RC5AR1TUBB4ATUBBTUBA3C
SCHEMBL31555123 0.97 MC4R (0.56) MC4RC5AR1TUBB4ATUBBTUBA3C
SCHEMBL31555120 0.97 MC4R (0.56) MC4RC5AR1TUBB4ATUBBTUBA3C
SCHEMBL31555122 0.97 MC4R (0.56) MC4RC5AR1TUBB4ATUBBTUBA3C
SCHEMBL30028371 0.96 MC4R (0.53) MC4RC5AR1TUBB4ATUBBTUBA3C
SCHEMBL29511034 0.95 MC4R (0.53) MC4RC5AR1TUBB4ATUBBTUBA3C
SCHEMBL31555121 0.94 MC4R (0.54) MC4RC5AR1TUBB4ATUBBTUBA3C
SCHEMBL31555124 0.94 MC4R (0.54) MC4RC5AR1TUBB4ATUBBTUBA3C

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-20220133839-A1 PEPTIDE ANALOGUES WITH BRANCHED AMINO ACID PROBE(S) TXP PHARMA GMBH (CH) 2022-05-05 — — US disclosed
Send feedback