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SCHEMBL13364969

SCHEMBL13364969

C[C@H](NC(=O)C1CN(C(=O)OC(C)(C)C)CC1c1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 7/20 0.61
▸ RORC P51449 5/20 0.56
▸ KCNH2 Q12809 1/20 0.48
▸ KCNQ3 O43525 2/20 0.47
▸ KCNQ2 O43526 2/20 0.47
▸ KCNQ4 P56696 1/20 0.47
▸ KCNQ5 Q9NR82 1/20 0.47
▸ MC4R P32245 1/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ PDE4B Q07343 2/20 0.45

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
SCHEMBL13365127 1.00 TACR1 (0.61) TACR1RORCKCNH2KCNQ3KCNQ2
SCHEMBL13365128 1.00 TACR1 (0.61) TACR1RORCKCNH2KCNQ3KCNQ2
SCHEMBL13365044 0.90 TACR1 (0.54) TACR1RORCKCNH2MC4RFFAR1
SCHEMBL13365043 0.89 TACR1 (0.53) TACR1RORCKCNH2MC4RPDE4B
SCHEMBL13365042 0.89 TACR1 (0.53) TACR1RORCKCNH2MC4RPDE4B
SCHEMBL13365056 0.89 TACR1 (0.51) TACR1RORCKCNQ3KCNQ2KCNQ4
SCHEMBL13365058 0.89 TACR1 (0.51) TACR1RORCKCNQ3KCNQ2KCNQ4
SCHEMBL13365109 0.83 KCNH2 (0.53) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL13365041 0.81 RORC (0.63) TACR1RORCMC4RPDE4B
SCHEMBL13364970 0.81 RORC (0.63) TACR1RORCMC4RPDE4B

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
WO-2010059922-A1 PYRROLIDINE CARBOXAMIDE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-05-27 — — WO disclosed