SCHEMBL8558558

SCHEMBL8558558

c1ccc(N2CCN(c3ncsn3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
LMNA P02545 4/20 0.61
GAA P10253 3/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CHRNA7 P36544 1/20 0.43
DRD4 P21917 2/20 0.42
DRD3 P35462 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42

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
SCHEMBL8674633 0.79 LMNA (0.52) MAPTLMNAGAAALDH1A1TSHR
SCHEMBL8555816 0.78 SIGMAR1 (0.56) GAAALDH1A1TSHRRAB9ANPC1
SCHEMBL8555604 0.78 MAPT (0.65) MAPTLMNAGAAALDH1A1TSHR
SCHEMBL8489945 0.77 PLD1 (0.53) MAPTLMNAALDH1A1TSHRHPGD
SCHEMBL8555562 0.77 DRD4 (0.54) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL4455153 0.76 MAPT (1.00) MAPTLMNAGAAALDH1A1TSHR
SCHEMBL8559854 0.76 HRH1 (0.37) MAPTALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL8555321 0.75 HRH4 (0.42) MAPTALDH1A1HSD17B10HTR3A
SCHEMBL8671225 0.75 POLB (0.44) LMNAGAAALDH1A1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL7716603 0.75 MAPT (0.96) MAPTLMNAGAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883622-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP claimed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO claimed