Sugi Predict

Sugi Predict / Compounds / SCHEMBL2155532

SCHEMBL2155532

SCHEMBL2155532

CCCCOC1(c2ccccc2C)CN(C(=O)C(Cc2ccc(OC)cc2OC(=O)C(F)(F)F)NC(=O)CCc2cnc[nH]2)C1.CCCCOC1(c2ccccc2C)CN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](O)Cc2c[nH]cn2)C1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MC1R Q01726 9/20 0.65
▸ MC4R P32245 9/20 0.65
▸ MC5R P33032 1/20 0.45
▸ MC3R P41968 1/20 0.45
▸ REN P00797 2/20 0.33
▸ TACR1 P25103 1/20 0.31

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
SCHEMBL1310555 0.89 MC1R (0.80) MC1RMC4RMC5RMC3RTACR1
Trifluoroacetic Acid SCHEMBL20450422 0.84 MC4R (0.70) MC1RMC4RMC5RMC3R
SCHEMBL1311308 0.83 MC1R (0.76) MC1RMC4RMC5RMC3R
SCHEMBL20450356 0.83 MC1R (0.76) MC1RMC4RMC5RMC3R
SCHEMBL1311307 0.83 MC1R (0.76) MC1RMC4RMC5RMC3R
Trifluoroacetic Acid SCHEMBL1310554 0.81 MC1R (0.92) MC1RMC4RMC5RMC3RREN
SCHEMBL20450360 0.81 MC1R (0.78) MC1RMC4RMC5RMC3R
SCHEMBL1310201 0.81 MC1R (0.78) MC1RMC4RMC5RMC3R
SCHEMBL1310839 0.81 MC1R (0.78) MC1RMC4RMC5RMC3R
SCHEMBL1309994 0.80 MC1R (0.70) MC1RMC4RMC5RMC3R

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-2342194-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-07-13 — — EP disclosed
WO-2010052253-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-05-14 — — WO disclosed