SCHEMBL6204249

SCHEMBL6204249

CC(c1ccccc1)N1C[C@@H](C2(NC(=O)OC(C)(C)C)CCC2)[C@@H](F)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.35
CTSL P07711 1/20 0.35
RIPK1 Q13546 1/20 0.34
CTSK P43235 2/20 0.34
KMT2A Q03164 1/20 0.34
USP30 Q70CQ3 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL6204252 1.00 UTS2R (0.35) UTS2RCTSLRIPK1CTSKKMT2A
SCHEMBL6204257 1.00 UTS2R (0.35) UTS2RCTSLRIPK1CTSKKMT2A
SCHEMBL5781254 1.00 UTS2R (0.35) UTS2RCTSLRIPK1CTSKKMT2A
SCHEMBL5781257 1.00 UTS2R (0.35) UTS2RCTSLRIPK1CTSKKMT2A
SCHEMBL6204723 0.96 UTS2R (0.36) UTS2RRIPK1CTSKKMT2AUSP30
SCHEMBL6204726 0.96 UTS2R (0.36) UTS2RRIPK1CTSKKMT2AUSP30
SCHEMBL6204721 0.96 UTS2R (0.36) UTS2RRIPK1CTSKKMT2AUSP30
SCHEMBL5783898 0.82 KMT2A (0.39) UTS2RCTSKKMT2APSEN1PSEN2
SCHEMBL5783900 0.82 KMT2A (0.39) UTS2RCTSKKMT2APSEN1PSEN2
SCHEMBL4748025 0.79 KMT2A (0.36) UTS2RCTSLCTSKKMT2AOPRM1

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-1020459-B1 CIS-DISUBSTITUTED AMINOCYCLOALKYL-PYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-04-06 EP claimed
EP-1020459-B1 CIS-DISUBSTITUTED AMINOCYCLOALKYL-PYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-04-06 EP disclosed