SCHEMBL1920145

SCHEMBL1920145

C[C@@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(F)cc1F)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.46
MC4R P32245 11/20 0.43
MC1R Q01726 3/20 0.42
MC5R P33032 3/20 0.42
MC3R P41968 3/20 0.42
KCNQ3 O43525 2/20 0.41
KCNQ2 O43526 2/20 0.41
KCNQ4 P56696 1/20 0.41
KCNQ5 Q9NR82 1/20 0.41
RORC P51449 1/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL3180612 0.88 MC4R (0.46) MC4RMC1RMC5RMC3RKCNQ3
SCHEMBL1267149 0.82 MC4R (0.50) TACR1MC4RMC1RMC5RMC3R
SCHEMBL3968947 0.82 MC4R (0.50) TACR1MC4RMC1RMC5RMC3R
SCHEMBL13493029 0.82 MC4R (0.50) TACR1MC4RMC1RMC5RMC3R
SCHEMBL12561512 0.81 TACR1 (0.45) TACR1MC4RMC1RMC5RMC3R
SCHEMBL18914417 0.80 PDE4B (0.59) TACR1MC4RMC1RMC5RMC3R
SCHEMBL13525795 0.80 PDE4B (0.59) TACR1MC4RMC1RMC5RMC3R
SCHEMBL13365127 0.80 TACR1 (0.61) TACR1MC4RKCNQ3KCNQ2KCNQ4
SCHEMBL13365128 0.80 TACR1 (0.61) TACR1MC4RKCNQ3KCNQ2KCNQ4
SCHEMBL13364969 0.80 TACR1 (0.61) TACR1MC4RKCNQ3KCNQ2KCNQ4

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-1716135-B1 PIPERIDINYLCARBONYL-PYRROLIDINES AND THEIR USE AS MELANOCORTIN AGONISTS PFIZER LTD (GB) 2011-06-01 EP disclosed