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SCHEMBL20450385

SCHEMBL20450385

CCCCOC1(c2ccccc2C)CN(C(=O)C(Cc2ccc(OC)cc2O)NC(=O)CCc2cnc[nH]2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MC1R Q01726 9/20 1.00
▸ MC4R P32245 9/20 0.71
▸ MC5R P33032 1/20 0.40
▸ MC3R P41968 1/20 0.40
▸ P2RY12 Q9H244 1/20 0.38
▸ SLC6A5 Q9Y345 1/20 0.35
▸ CCR2 P41597 1/20 0.34
▸ HRH3 Q9Y5N1 5/20 0.34
▸ HRH4 Q9H3N8 3/20 0.34
▸ PDE5A O76074 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL1310554 0.96 MC1R (0.92) MC1RMC4RMC5RMC3RP2RY12
SCHEMBL1310555 0.89 MC1R (0.80) MC1RMC4RMC5RMC3RP2RY12
SCHEMBL20450442 0.89 MC1R (0.79) MC1RMC4RMC5RMC3RP2RY12
SCHEMBL1309721 0.89 MC1R (0.79) MC1RMC4RMC5RMC3RP2RY12
SCHEMBL16445351 0.85 MC1R (0.73) MC1RMC4RP2RY12
SCHEMBL2154492 0.83 MC1R (0.70) MC1RMC4RMC5RMC3RP2RY12
SCHEMBL1310558 0.82 MC1R (0.69) MC1RMC4RHRH4
SCHEMBL2155532 0.80 MC1R (0.65) MC1RMC4RMC5RMC3R
SCHEMBL20450363 0.78 MC1R (0.73) MC1RMC4RMC5RMC3R
SCHEMBL1311193 0.78 MC1R (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342194-B1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2018-08-08 — — EP claimed