SCHEMBL7236592

SCHEMBL7236592

O=C(O)CCc1cc(CCc2ccccc2OCCN2CCN(c3nsc4ccccc34)CC2)cc(CCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.53
HTR1A P08908 3/20 0.53
HTR2A P28223 3/20 0.53
HTR7 P34969 3/20 0.53
HTR6 P50406 3/20 0.53

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
SCHEMBL7225838 0.96 DRD2 (0.57) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL6185306 0.89 HTR1A (0.48) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL6184834 0.85 DRD2 (0.51) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL6185121 0.83 ABCB1 (0.49) DRD2
SCHEMBL6182349 0.82 ABCB1 (0.58) DRD2
SCHEMBL6185937 0.81 DRD1 (0.51)
SCHEMBL6182991 0.81 HTR2A (0.53) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL6186397 0.80 HTR1D (0.42) HTR7
Hydrochloric Acid SCHEMBL7225841 0.80 HTR2A (0.52) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL6187774 0.79 ABCB1 (0.58) DRD2HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6541471-B1 Useful as a TXA2 receptor antagonist and a 5-HT2 receptor antagonist LES LABORATOIRES SERVIER (FR) 2003-04-01 US disclosed