SCHEMBL7474757

SCHEMBL7474757

c1ccc(CN2CCN(c3nsc4nc5ccccc5n34)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.52
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
HTR1A P08908 1/20 0.52
HTR2C P28335 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
DRD4 P21917 1/20 0.48
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL7477890 0.85 SMN1; SMN2 (0.47) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL7477326 0.85 MEN1 (0.52) HTR3AHTR3EHTR3BHTR1AHTR2C
SCHEMBL7477865 0.84 MAPT (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7471997 0.83 KDM4E (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7478110 0.83 NPSR1 (0.49) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL7477347 0.82 ALDH1A1 (0.42) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL7475121 0.81 POLB (0.45) MEN1KMT2A
SCHEMBL7476811 0.81 HRH4 (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7479646 0.81 LMNA (0.58) HTR1AHTR2CMEN1KMT2AKDM4E
SCHEMBL7479641 0.81 LMNA (0.58) HTR1AHTR2CMEN1KMT2AKDM4E

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