SCHEMBL7673235

SCHEMBL7673235

c1cncc(C2=NN=C(COCC3CCCCC3)[N]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 1/20 0.40
NPY5R Q15761 1/20 0.39
GBA1 P04062 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CHRNB1 P11230 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CYP11B2 P19099 1/20 0.35
HTR6 P50406 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7681288 0.99 CHRNB2 (0.41) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL7678740 0.78 CYP2A6 (0.40) ALDH1A1MKNK1MKNK2CYP11B2MEN1
SCHEMBL7673942 0.76 CYP2A6 (0.44) ALDH1A1MKNK1MKNK2CYP11B2
SCHEMBL7673098 0.76 KMT2A (0.43) GBA1ALDH1A1CYP11B2GAAMEN1
SCHEMBL7683444 0.74 CYP2A6 (0.37) NPY5RALDH1A1CYP11B2
SCHEMBL7680376 0.71 KDM4E (0.47) GBA1ALDH1A1CYP11B2MEN1KMT2A
SCHEMBL7676187 0.70 CYP2A6 (0.47) ALDH1A1MKNK1MKNK2CYP11B2KMT2A
SCHEMBL7674967 0.70 MKNK1 (0.50) ALDH1A1MKNK1MKNK2GAA
SCHEMBL7682696 0.68 CYP3A4 (0.40) ALDH1A1MKNK1MKNK2CYP11B2
SCHEMBL7676360 0.67 CYP2A6 (0.40) ALDH1A1MKNK1MKNK2CYP11B2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376490-B1 STRONG N-METHYL-D-ASPARATE RECEPTOR ANTAGONISTS; USEFUL IN TREATING STROKES, ISCHEMIA, AND CENTRAL NERVOUS SYSTEM INJURIES PFIZER INC 2002-04-23 US claimed
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP claimed
JP-3110467-B2 2000-11-20 JP claimed
EP-0885212-A1 QUINOXALINEDIONES Pfizer Research and Development Company, N.V./S.A. (IE) 1998-12-23 EP claimed
WO-1997032873-A1 QUINOXALINEDIONES PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-09-12 WO claimed
US-6376490-B1 STRONG N-METHYL-D-ASPARATE RECEPTOR ANTAGONISTS; USEFUL IN TREATING STROKES, ISCHEMIA, AND CENTRAL NERVOUS SYSTEM INJURIES PFIZER INC 2002-04-23 US disclosed
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP disclosed