SCHEMBL18716919

SCHEMBL18716919

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(=O)NC2CC2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(O)[C@H](Cc2c[nH]cn2)NC1=O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 14/20 0.59
▸ TUBB4A P04350 5/20 0.56
▸ TUBB P07437 5/20 0.56
▸ TUBA3C P0DPH7 5/20 0.56
▸ TUBA1B P68363 5/20 0.56
▸ TUBA4A P68366 5/20 0.56
▸ TUBB4B P68371 5/20 0.56
▸ TUBB3 Q13509 5/20 0.56
▸ TUBB2A Q13885 5/20 0.56
▸ TUBB8 Q3ZCM7 5/20 0.56
▸ TUBA3E Q6PEY2 5/20 0.56
▸ TUBA1A Q71U36 5/20 0.56
▸ TUBA1C Q9BQE3 5/20 0.56
▸ TUBB6 Q9BUF5 5/20 0.56
▸ TUBB2B Q9BVA1 5/20 0.56
▸ TUBB1 Q9H4B7 5/20 0.56
▸ MC1R Q01726 6/20 0.51
▸ MC5R P33032 2/20 0.51
▸ MC3R P41968 2/20 0.51

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
SCHEMBL19473839 0.97 MC4R (0.57) MC4RTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7862169 0.95 MC4R (0.62) MC4RTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18716918 0.95 MC4R (0.62) MC4RTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18716985 0.95 MC4R (0.62) MC4RTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18716878 0.94 MC4R (0.58) MC4RTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18716869 0.93 MC4R (0.59) MC4RTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18717028 0.92 MC4R (0.61) MC4RTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10089230 0.91 MC4R (0.62) MC4RTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18716928 0.91 MC4R (0.62) MC4RTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18716884 0.91 MC4R (0.62) MC4RTUBB4ATUBBTUBA3CTUBA1B

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
EP-2440572-B1 LACTAM-BRIDGED MELANOCORTIN RECEPTOR-SPECIFIC PEPTIDES PALATIN TECHNOLOGIES INC (US) 2017-04-05 — — EP disclosed
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