SCHEMBL4731508

SCHEMBL4731508

O=C(CN1CCN(C(=O)c2n[nH]c3cc(Br)ccc23)CC1)c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.65
HTR2C P28335 9/20 0.65
KCNH2 Q12809 2/20 0.57
ABL1 P00519 2/20 0.49
BCR P11274 2/20 0.49
ALDH1A1 P00352 1/20 0.46
RBP4 P02753 1/20 0.45

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
SCHEMBL4732167 0.92 HTR2A (0.65) HTR2AHTR2CKCNH2ABL1BCR
SCHEMBL4781852 0.92 HTR2A (0.66) HTR2AHTR2CKCNH2ABL1BCR
SCHEMBL4782121 0.88 HTR2A (0.61) HTR2AHTR2CKCNH2ABL1BCR
SCHEMBL4794769 0.88 HTR2A (0.67) HTR2AHTR2CKCNH2ABL1BCR
SCHEMBL4782575 0.86 HTR2A (0.65) HTR2AHTR2CKCNH2ABL1BCR
SCHEMBL4783291 0.85 HTR2A (0.61) HTR2AHTR2CKCNH2ABL1BCR
SCHEMBL4784431 0.85 HTR2A (0.66) HTR2AHTR2CKCNH2ABL1BCR
SCHEMBL4781280 0.85 HTR2A (0.66) HTR2AHTR2CKCNH2ALDH1A1
SCHEMBL4784682 0.84 HTR2A (0.62) HTR2AHTR2CKCNH2ABL1BCR
SCHEMBL4847938 0.84 HTR2A (0.56) HTR2AHTR2CKCNH2ABL1BCR

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
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
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