SCHEMBL7618124

SCHEMBL7618124

N#CCCN1CC[C@@H](Br)C1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ACE P12821 1/20 0.31
HPGD P15428 1/20 0.31
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
PIK3CD O00329 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
SCHEMBL7618122 1.00 POLB (0.39) POLBALDH1A1PKMMAPTSMN1; SMN2
SCHEMBL7618268 0.81 CHRM2 (0.39) ALDH1A1NPSR1ACECHRM2CHRM4
SCHEMBL7618261 0.81 CHRM2 (0.39) ALDH1A1NPSR1ACECHRM2CHRM4
SCHEMBL4989478 0.73 ALDH1A1 (0.36) ALDH1A1GAAPIK3CD
SCHEMBL2083375 0.72
SCHEMBL14644332 0.72
SCHEMBL7622515 0.72 CHRM2 (0.38) ACECHRM2CHRM4CHRM5CHRM1
SCHEMBL7622506 0.72 CHRM2 (0.38) ACECHRM2CHRM4CHRM5CHRM1
SCHEMBL7622510 0.72 CHRM2 (0.38) ACECHRM2CHRM4CHRM5CHRM1
SCHEMBL15085592 0.71 POLB (0.37) POLBALDH1A1PKMMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620225-B1 Cephalosporin derivatives BASILEA PHARMACEUTICA AG (CH) 2002-11-13 EP disclosed
US-5523400-A 3-(PYRROLIDIN-3-YLIDENE=CH-),7-((2-AMINOTHIAZOL-4-YL)HYDROX -IMINOACETYLAMINO-)-3-CEPHEM DERIVATIVES; BROAD SPECTRUM ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1996-06-04 US disclosed
EP-0620225-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-10-19 EP disclosed