SCHEMBL8567130

SCHEMBL8567130

Cc1ccn2c1cnc1c(N3CCN(Cc4ccc(F)cc4)CC3)cccc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.52
MAPK1 P28482 1/20 0.49
HTR3E A5X5Y0 11/20 0.48
HTR3B O95264 11/20 0.48
HTR3A P46098 11/20 0.48
HTR3D Q70Z44 11/20 0.48
HTR3C Q8WXA8 11/20 0.48
HTR2C P28335 5/20 0.48
KDM4E B2RXH2 1/20 0.47
HTR6 P50406 1/20 0.44
DRD2 P14416 3/20 0.42
DRD4 P21917 3/20 0.42
DRD3 P35462 3/20 0.42
MAPT P10636 1/20 0.40

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
SCHEMBL8569105 0.90 DRD2 (0.52) HTR1AHTR3EHTR3BHTR3AHTR3D
SCHEMBL8571687 0.88 HTR1A (0.49) HTR1AMAPK1HTR3EHTR3BHTR3A
SCHEMBL8565549 0.87 MAPK1 (0.60) HTR1AMAPK1HTR3EHTR3BHTR3A
SCHEMBL8570061 0.84 HTR1A (0.54) HTR1AMAPK1HTR3EHTR3BHTR3A
SCHEMBL8879183 0.80 KDM4E (0.52) HTR1AHTR3EHTR3BHTR3AHTR3D
SCHEMBL8565014 0.79 HTR1A (0.48) HTR1AMAPK1HTR3EHTR3BHTR3A
SCHEMBL8572082 0.79 HTR3E (0.41) HTR1AHTR3EHTR3BHTR3AHTR3D
SCHEMBL8566284 0.78 DRD4 (0.54) HTR1AHTR3EHTR3BHTR3AHTR3D
SCHEMBL8564628 0.77 ADRB1 (0.50) HTR1AHTR3EHTR3BHTR3AHTR3D
SCHEMBL8565075 0.77 DRD4 (0.53) HTR1AMAPK1KDM4EDRD2DRD4

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-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