SCHEMBL8328445

SCHEMBL8328445

C[C@@H](N)[C@H]1CCN([C@@H](C)c2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.55
MC4R P32245 1/20 0.49
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.44
OPRM1 P35372 4/20 0.43
OPRK1 P41145 3/20 0.43
OPRL1 P41146 3/20 0.43
CCR5 P51681 1/20 0.42
OPRD1 P41143 2/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
DPP4 P27487 1/20 0.41
ALDH1A1 P00352 2/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
DRD4 P21917 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
SCHEMBL8333123 1.00 CYP2D6 (0.55) CYP2D6MC4RLMNASMN1; SMN2HTT
SCHEMBL9429078 1.00 CYP2D6 (0.55) CYP2D6MC4RLMNASMN1; SMN2HTT
SCHEMBL8326519 1.00 CYP2D6 (0.55) CYP2D6MC4RLMNASMN1; SMN2HTT
SCHEMBL8331375 1.00 CYP2D6 (0.55) CYP2D6MC4RLMNASMN1; SMN2HTT
SCHEMBL8328699 1.00 CYP2D6 (0.55) CYP2D6MC4RLMNASMN1; SMN2HTT
SCHEMBL8328695 1.00 CYP2D6 (0.55) CYP2D6MC4RLMNASMN1; SMN2HTT
SCHEMBL8327707 1.00 CYP2D6 (0.55) CYP2D6MC4RLMNASMN1; SMN2HTT
SCHEMBL8925684 1.00 CYP2D6 (0.55) CYP2D6MC4RLMNASMN1; SMN2HTT
SCHEMBL8328916 1.00 CYP2D6 (0.55) CYP2D6MC4RLMNASMN1; SMN2HTT
SCHEMBL13713164 1.00 CYP2D6 (0.55) CYP2D6MC4RLMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559774-B1 INDIVIDUAL STEREOISOMERS OF 7- 3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 1999-07-07 EP disclosed
EP-0909759-A2 Individual stereoisomers of 7-(3-aminoalkyl)-1-pyrrolidinyl)-quinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1999-04-21 EP disclosed
US-5633264-A Individual stereoisomers of 7-[3-(1-aminoalkyl)-1-pyrrolidinyl]-Quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1997-05-27 US disclosed
US-5563155-A QUINOLONE ANTIBIOTICS WITH INCREASED EFFICACY, REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY (US) 1996-10-08 US disclosed
US-5461165-A Individual stereoisomers of intermediates of 7-[3-(1-aminoalkyl)-1-pyrrolidinyl]-quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1995-10-24 US disclosed
US-5344940-A Bactericides WARNER-LAMBERT COMPANY (US) 1994-09-06 US disclosed
US-5258528-A Bactericides WARNER-LAMBERT COMPANY (US) 1993-11-02 US disclosed
EP-0559774-A1 INDIVIDUAL STEREOISOMERS OF 7- 3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-09-15 EP disclosed
WO-1992009596-A1 INDIVIDUAL STEREOISOMERS OF 7-[3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1992-06-11 WO disclosed