SCHEMBL4764197

SCHEMBL4764197

CC(C)(C)OC(=O)N1CCCC1N(c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.49
▸ UCHL1 P09936 1/20 0.42
▸ USP30 Q70CQ3 5/20 0.42
▸ LMNA P02545 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 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
SCHEMBL4764196 1.00 RIPK1 (0.49) RIPK1UCHL1USP30LMNANPSR1
SCHEMBL2545927 0.81 RIPK1 (0.46) RIPK1UCHL1USP30GPR119
SCHEMBL4791424 0.81 TSHR (0.43) UCHL1USP30LMNANPSR1TSHR
SCHEMBL4791421 0.81 TSHR (0.43) UCHL1USP30LMNANPSR1TSHR
SCHEMBL17067869 0.79 RIPK1 (0.73) RIPK1UCHL1LMNANPSR1TSHR
SCHEMBL469686 0.79 RIPK1 (0.73) RIPK1UCHL1LMNANPSR1TSHR
SCHEMBL17067870 0.79 RIPK1 (0.73) RIPK1UCHL1LMNANPSR1TSHR
SCHEMBL4764260 0.78 CYP3A4 (0.43) USP30LMNANPSR1TSHRMAPT
SCHEMBL4762740 0.77 ALDH1A1 (0.42) UCHL1USP30LMNANPSR1TSHR
SCHEMBL4762739 0.77 ALDH1A1 (0.42) UCHL1USP30LMNANPSR1TSHR

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-1881975-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-30 — — EP disclosed
WO-2006121218-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 — — WO disclosed
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