SCHEMBL4781280

SCHEMBL4781280

O=C(CN1CCN(C(=O)c2n[nH]c3ccccc23)CC1)c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.66
HTR2C P28335 9/20 0.64
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
MAPK8 P45983 1/20 0.57
MAPK10 P53779 1/20 0.57
KCNH2 Q12809 2/20 0.55
AHR P35869 1/20 0.53
TSHR P16473 1/20 0.53
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51

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
SCHEMBL14205207 0.91 HTR2A (0.56) HTR2AHTR2CALDH1A1MAPTMAPK8
SCHEMBL4784431 0.89 HTR2A (0.66) HTR2AHTR2CALDH1A1KCNH2AHR
SCHEMBL4781852 0.89 HTR2A (0.66) HTR2AHTR2CALDH1A1KCNH2AHR
SCHEMBL4782575 0.86 HTR2A (0.65) HTR2AHTR2CALDH1A1KCNH2TSHR
SCHEMBL4732167 0.85 HTR2A (0.65) HTR2AHTR2CALDH1A1KCNH2
SCHEMBL4731508 0.85 HTR2A (0.65) HTR2AHTR2CALDH1A1KCNH2
SCHEMBL4794769 0.85 HTR2A (0.67) HTR2AHTR2CKCNH2
SCHEMBL4783248 0.85 HTR2A (0.67) HTR2AHTR2CMAPTKCNH2
SCHEMBL4782015 0.85 HTR2A (0.61) HTR2AHTR2CMAPTKCNH2
SCHEMBL4782121 0.85 HTR2A (0.61) HTR2AHTR2CMAPK8MAPK10KCNH2

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
WO-2008054748-A2 INDAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-05-08 WO claimed
WO-2008054748-A2 INDAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-05-08 WO disclosed