SCHEMBL8765779

SCHEMBL8765779

O=[N+]([O-])C1(Cc2ccccc2)C2CNCC21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD11B1 P28845 1/20 0.35
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
GBA1 P04062 1/20 0.34
CTSD P07339 1/20 0.34
HTR2C P28335 1/20 0.33
KDM1A O60341 2/20 0.33
KCNA4 P22459 1/20 0.33
KCNA1 Q09470 1/20 0.33
KCNAB1 Q14722 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL8083733 0.75 MAPT (0.37) KDM4EMAPTHTTALDH1A1HSD11B1
SCHEMBL8766756 0.70 MAOA (0.48) MC4RMAOAMAOBGBA1KDM1A
SCHEMBL9407228 0.68 KCNA4 (0.36) ALDH1A1KCNA4KCNA1KCNAB1
SCHEMBL16608271 0.65 MAOA (0.36) MC4RMAOAMAOBGBA1KDM1A
SCHEMBL16608218 0.65 LMNA (0.42) MC4RALDH1A1MAOAMAOBGBA1
SCHEMBL18373227 0.65 MAOA (0.36) MC4RMAOAMAOBGBA1KDM1A
SCHEMBL7502415 0.65 ALDH1A1 (0.41) KDM4EMAPTHTTALDH1A1HSD11B1
SCHEMBL9129297 0.62 MC4R (0.39) MC4RMAPTALDH1A1HSD11B1CTSD
SCHEMBL7867641 0.62 MC4R (0.49) MC4RMAPTALDH1A1GBA1
SCHEMBL5273291 0.62 ALDH1A1 (0.36) KDM4EMAPTHTTALDH1A1MAOA

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-0629189-B1 PREPARATION OF INTERMEDIATES IN THE SYNTHESIS OF QUINOLINE ANTIBIOTICS PFIZER (US) 1997-08-06 EP disclosed
US-5298629-A Intermediates in the synthesis of quinoline antibiotics PFIZER INC. (US) 1994-03-29 US disclosed
US-5256791-A Preparation of intermediates in the synthesis of quinoline antibiotics PFIZER INC. (US) 1993-10-26 US disclosed