SCHEMBL7187906

SCHEMBL7187906

O=NC[N]Cc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
CHRNA7 P36544 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK10 P53779 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2A6 P11509 1/20 0.42
RECQL P46063 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
FDPS P14324 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3936550 0.86 CYP1A2 (0.58) NAPRTCYP1A2CYP2D6CHRNA7CHRNB2
SCHEMBL18500410 0.84
SCHEMBL8404150 0.77 CHRNB2 (0.52) NAPRTCYP1A2CYP2D6CHRNA7CHRNB2
SCHEMBL4882673 0.74 TDP1 (0.53) NAPRTCYP1A2CYP2D6CHRNA7CHRNB2
SCHEMBL16037351 0.73 CHRNA7 (0.57) NAPRTCYP1A2CYP2D6CHRNA7CYP2A6
SCHEMBL19291936 0.72
SCHEMBL27849830 0.72
SCHEMBL1477204 0.72
SCHEMBL30142989 0.72 CHRNB2 (0.48) NAPRTCYP1A2CYP2D6CHRNA7CHRNB2
SCHEMBL856127 0.72 CHRNB2 (0.48) NAPRTCYP1A2CYP2D6CHRNA7CHRNB2

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
US-6586402-B1 LH-RH peptide analogues, their uses and pharmaceutical compositions containing them LABORATOIRE THERAMEX (MC) 2003-07-01 US disclosed
EP-1117420-B1 PHARMACEUTICAL COMPOSITIONS BASED ON ALPHA-CYCLODEXTRIN FOR THE ORAL ADMINISTRATION OF LH-RH ANALOGUES THERAMEX (MC) 2002-06-05 EP disclosed
EP-0984982-B1 LH-RH PEPTIDE ANALOGUES, THEIR USES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THERAMEX (MC) 2001-08-16 EP disclosed
EP-1117420-A1 PHARMACEUTICAL COMPOSITIONS BASED ON ALPHA-CYCLODEXTRIN FOR THE ORAL ADMINISTRATION OF LH-RH ANALOGUES LABORATOIRE THERAMEX S.A. (MC) 2001-07-25 EP disclosed
EP-0998940-A1 Pharmaceutical compositions based on alpha-cyclodextrin for the oral administration of LH-RH analogues LABORATOIRE THERAMEX (MC) 2000-05-10 EP disclosed
WO-2000018423-A1 PHARMACEUTICAL COMPOSITIONS BASED ON ALPHA-CYCLODEXTRIN FOR THE ORAL ADMINISTRATION OF LH-RH ANALOGUES LABORATOIRE THERAMEX (MC) 2000-04-06 WO disclosed
EP-0984982-A1 LH-RH PEPTIDE ANALOGUES, THEIR USES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 2000-03-15 EP disclosed
WO-1998055505-A1 LH-RH PEPTIDE ANALOGUES, THEIR USES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 1998-12-10 WO disclosed
EP-0882736-A1 LH-RH peptide analogues, their uses and pharmaceutical compositions containing them LABORATOIRE THERAMEX S.A. (MC) 1998-12-09 EP disclosed