SCHEMBL8557936

SCHEMBL8557936

CCN1CCN(c2ncsn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
RAD52 P43351 2/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
CYP1A2 P05177 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
HRH3 Q9Y5N1 2/20 0.38
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL8559247 0.86 DRD2 (0.46)
Anisole SCHEMBL27954075 0.84 HRH3 (0.47) CHRNA7SMN1; SMN2KDM4EGAAMAPT
SCHEMBL8670927 0.83 DRD2 (0.42) KDM4EGAAMAPTLMNA
SCHEMBL8555321 0.79 HRH4 (0.42) MAPTCYP1A2ALDH1A1
SCHEMBL7481150 0.76 ALDH1A1 (0.41) CHRNA7SMN1; SMN2KDM4EGAARAD52
SCHEMBL8559854 0.76 HRH1 (0.37) SMN1; SMN2MAPTNPC1POLBRAB9A
SCHEMBL8525435 0.76 DHFR (0.48) CHRNA7SMN1; SMN2KDM4EGAARAD52
SCHEMBL8555816 0.75 SIGMAR1 (0.56) KDM4EGAANPC1RAB9AALDH1A1
SCHEMBL8674633 0.75 LMNA (0.52) SMN1; SMN2KDM4EGAAMAPTNPC1
SCHEMBL2633644 0.75 MEN1 (0.54) CHRNA7KDM4EMAPTPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883622-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP disclosed
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP disclosed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO disclosed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO disclosed