SCHEMBL7682799

SCHEMBL7682799

CCC1=NN=C(c2ccccc2Cl)[N]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
CYP2A6 P11509 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
DPP4 P27487 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSPO P30536 1/20 0.34
IDO1 P14902 1/20 0.33
USP7 Q93009 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
GPBAR1 Q8TDU6 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
SCHEMBL7683523 0.81 DPP4 (0.37) HSD11B1CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL7672929 0.76 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL7674225 0.76 HSD11B1 (0.46) HSD11B1CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL9287839 0.65 DPP4 (0.63) HSD11B1CYP2A6DPP4KMT2APOLB
SCHEMBL29802156 0.63 CYP2A6 (0.67) HSD11B1CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL671133 0.63 CYP2A6 (0.67) HSD11B1CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL29883244 0.63 CYP2A6 (0.67) HSD11B1CYP2A6NPC1RAB9ASMN1; SMN2
Ether SCHEMBL9486848 0.62 DPP4 (0.48) HSD11B1CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL17067056 0.62 DPP4 (0.47) HSD11B1CYP2A6DPP4KMT2APOLB
SCHEMBL1623837 0.62 MAOB (0.61) HSD11B1CYP2A6NPC1RAB9ASMN1; SMN2

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-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
EP-0885212-A1 QUINOXALINEDIONES Pfizer Research and Development Company, N.V./S.A. (IE) 1998-12-23 EP disclosed
WO-1997032873-A1 QUINOXALINEDIONES PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-09-12 WO disclosed