SCHEMBL8844159

SCHEMBL8844159

CNCc1ccc(C2CCNC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.54
JAK3 P52333 2/20 0.51

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
SCHEMBL8844193 0.81 DRD2 (0.48) HTR3AJAK3
SCHEMBL27469424 0.81 HTR3A (0.59) HTR3AJAK3
SCHEMBL23763865 0.81 HTR3A (0.59) HTR3AJAK3
SCHEMBL469033 0.80 NCF1 (0.47)
SCHEMBL21400118 0.80 LOXL2 (0.47)
SCHEMBL10637678 0.79 CARM1 (0.49)
SCHEMBL24715427 0.79 CARM1 (0.49)
SCHEMBL9482718 0.78 JAK3 (0.67) HTR3AJAK3
SCHEMBL17825381 0.78 HTR3A (0.56) HTR3AJAK3
SCHEMBL12640581 0.77 HTR3A (0.59) HTR3AJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622966-A BACTERICIDES TREATING INFECTIONS WARNER-LAMBERT COMPANY (US) 1997-04-22 US disclosed
US-5446044-A Bactericides WARNER-LAMBERT COMPANY (US) 1995-08-29 US disclosed
US-5384407-A Pyrrolidine compounds WARNER-LAMBERT COMPANY (US) 1995-01-24 US disclosed
US-5342844-A 7-substituted quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1994-08-30 US disclosed
WO-1993016077-A1 7-SUBSTITUTED QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-08-19 WO disclosed
US-5221676-A 7-substituted quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1993-06-22 US disclosed