SCHEMBL6964128

SCHEMBL6964128

O=C(O)N1CCC(CN2CCC(Br)C2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.38
ACE P12821 2/20 0.36
THRB P10828 2/20 0.35
MAPT P10636 5/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.32
RAMP1 O60894 2/20 0.31
CALCRL Q16602 2/20 0.31
PARP1 P09874 1/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7619079 0.83 FPR2 (0.35) FPR2ACEGAAKDM4E
SCHEMBL7510369 0.83 FPR2 (0.35) FPR2ACEGAAKDM4E
SCHEMBL7619075 0.83 FPR2 (0.35) FPR2ACEGAAKDM4E
SCHEMBL8506958 0.78 CHRM5 (0.45) SMN1; SMN2
SCHEMBL16712520 0.73 ALDH1A1 (0.35) MAPTLMNAGAAKDM4EALDH1A1
SCHEMBL3051855 0.73 TSHR (0.50) GAAKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL10371338 0.73 ACE (0.64) ACELMNASMN1; SMN2
SCHEMBL789030 0.72 MEN1 (0.36) FPR2TSHR
SCHEMBL3555476 0.71 CHRM5 (0.54) THRBMAPTLMNATP53GAA
SCHEMBL4321783 0.71 CHRM5 (0.48) THRBMAPTLMNATP53GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0849269-B9 Vinyl pyrrolidine cephalosporins with basic substituents BASILEA PHARMACEUTICA AG (CH) 2003-03-05 EP disclosed
EP-0849269-B1 Vinyl pyrrolidine cephalosporins with basic substituents BASILEA PHARMACEUTICA AG (CH) 2002-07-10 EP disclosed
US-5981519-A Vinyl-pyrrolidinone cephalosporins HOFFMAN-LA ROCHE INC. (US) 1999-11-09 US disclosed
EP-0849269-A1 Vinyl pyrrolidine cephalosporins with basic substituents F. HOFFMANN-LA ROCHE AG (CH) 1998-06-24 EP disclosed