SCHEMBL7476440

SCHEMBL7476440

Nc1cccnc1N1CCN(c2nsc3nc4ccccc4n23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
HTR3E A5X5Y0 3/20 0.38
HTR3B O95264 3/20 0.38
HTR3A P46098 3/20 0.38
HTR3D Q70Z44 3/20 0.38
HTR3C Q8WXA8 3/20 0.38
HRH4 Q9H3N8 2/20 0.36
MAPT P10636 4/20 0.36
TSHR P16473 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CREBBP Q92793 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CLK2 P49760 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
SCHEMBL7475105 0.84 GRM2 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7477431 0.83 KDM4E (0.45) MAPTTSHRKDM4EHSD17B10CREBBP
SCHEMBL7479275 0.81 TSHR (0.50) MAPTTSHRKDM4EHSD17B10MEN1
SCHEMBL7477865 0.79 MAPT (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7477347 0.79 ALDH1A1 (0.42) MAPTTSHRKDM4EHSD17B10MEN1
SCHEMBL7476811 0.78 HRH4 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL7479088 0.77 HRH4 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7479370 0.75 HTR3A (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7476332 0.75 ENPP1 (0.52) MAPTTSHRKDM4EMEN1KMT2A
SCHEMBL7477890 0.75 SMN1; SMN2 (0.47) MAPTKMT2AALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883622-B1 PROTON PUMP INHIBITOR APOTEX INC (CA) 2002-05-15 EP claimed
US-6093738-A IMIDAZO(1,2-D)-THIADIAZOLE COMPOUNDS; PEPTIC ULCER TREATMENT KARIMIAN KHASHAYAR (CA) 2000-07-25 US claimed
CN-1216527-A Method for scavenging mercaptan APOTEX INC (CA) 1999-05-12 CN claimed
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP claimed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO claimed
EP-0883622-B1 PROTON PUMP INHIBITOR APOTEX INC (CA) 2002-05-15 EP disclosed
US-6114537-A 1,2,4-THIADIAZOLE COMPOUND IS USEFUL FOR TRAPPING THIOL COMPOUNDS AND SELECTIVELY CHANGING THIOLS TO DISULFIDE COMPOUNDS APOTEX INC. (CA) 2000-09-05 US disclosed
US-6093738-A IMIDAZO(1,2-D)-THIADIAZOLE COMPOUNDS; PEPTIC ULCER TREATMENT KARIMIAN KHASHAYAR (CA) 2000-07-25 US disclosed
EP-0883622-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP disclosed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO disclosed