Sugi Predict

Sugi Predict / Compounds / SCHEMBL4041552

SCHEMBL4041552

SCHEMBL4041552

CC1CN(/C(=N/[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)Nc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)CC(C)N1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MC5R P33032 20/20 0.69
▸ MC4R P32245 7/20 0.69
▸ MC3R P41968 7/20 0.69
▸ MC1R Q01726 3/20 0.55

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
SCHEMBL4041562 1.00 MC5R (0.69) MC5RMC4RMC3RMC1R
SCHEMBL4041557 1.00 MC5R (0.69) MC5RMC4RMC3RMC1R
SCHEMBL4042929 0.91 MC5R (0.60) MC5RMC4RMC3RMC1R
SCHEMBL4042922 0.91 MC5R (0.60) MC5RMC4RMC3RMC1R
SCHEMBL4042925 0.91 MC5R (0.60) MC5RMC4RMC3RMC1R
SCHEMBL14595336 0.88 MC5R (0.53) MC5RMC4RMC3RMC1R
SCHEMBL4041371 0.88 MC5R (0.52) MC5RMC4RMC3RMC1R
SCHEMBL4041368 0.88 MC5R (0.52) MC5RMC4RMC3RMC1R
SCHEMBL4041366 0.88 MC5R (0.52) MC5RMC4RMC3RMC1R
SCHEMBL4043580 0.87 MC5R (0.55) MC5RMC4RMC3RMC1R

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
EP-1409468-B9 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-29 — — EP disclosed
EP-1409468-B1 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-11-12 — — EP disclosed