SCHEMBL8563501

SCHEMBL8563501

OC1(c2ccc(Cl)cc2)CCN(c2nc3ccccc3n3cccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
TP53 P04637 4/20 0.56
MAPT P10636 3/20 0.56
THRB P10828 1/20 0.56
HTR3E A5X5Y0 7/20 0.55
HTR3B O95264 7/20 0.55
HTR3A P46098 7/20 0.55
HTR3D Q70Z44 7/20 0.55
HTR3C Q8WXA8 7/20 0.55
HTR2C P28335 4/20 0.53
HTR1A P08908 4/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CCR3 P51677 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43

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
SCHEMBL7305565 0.84 HTR1A (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8565555 0.80 HTR3E (0.67) LMNATP53MAPTTHRBHTR3E
SCHEMBL22796402 0.76 TP53 (0.60) LMNATP53MAPTTHRBHTR3E
SCHEMBL8569563 0.75 HTR3E (0.75) MAPTHTR3EHTR3BHTR3AHTR3D
SCHEMBL8569971 0.74 HTR3E (0.73) MAPTHTR3EHTR3BHTR3AHTR3D
SCHEMBL8565448 0.74 LMNA (0.59) LMNATP53MAPTTHRBHTR3E
SCHEMBL8572446 0.72 HTR3E (0.65) LMNATP53MAPTTHRBHTR3E
SCHEMBL8571231 0.72 HTR3E (0.69) LMNATP53MAPTTHRBHTR3E
SCHEMBL8567791 0.72 HTR3E (0.74) MAPTHTR3EHTR3BHTR3AHTR3D
SCHEMBL8568649 0.72 HTR3E (0.69) MAPTHTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623620-B1 5-HT3 Pyrrolopyrazine derivatives ADIR (FR) 1998-09-09 EP disclosed
US-5599812-A ANTISEROTONINE AGENTS ADIR ET COMPAGNIE (FR) 1997-02-04 US disclosed
EP-0623620-A1 5-HT3 Pyrrolopyrazine derivatives ADIR ET COMPAGNIE (FR) 1994-11-09 EP disclosed