SCHEMBL6552887

SCHEMBL6552887

COc1ccc2cccc(OS(=O)(=O)C(F)(F)F)c2c1.O=S(=O)(Oc1cccc2cc(F)ccc12)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.42
MTNR1B P49286 5/20 0.42
HTR2A P28223 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPA1 O75762 1/20 0.37
NQO2 P16083 1/20 0.37

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
SCHEMBL124046 0.92 MTNR1A (0.47) MTNR1AMTNR1BHTR2ATRPV1HTR2C
SCHEMBL1180547 0.89 MTNR1A (0.44) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL5088679 0.86 DRD2 (0.36)
SCHEMBL5369468 0.84 DRD2 (0.36)
SCHEMBL8016986 0.84 HTR1A (0.42) MTNR1AMTNR1BHTR2C
SCHEMBL30344940 0.84 DRD2 (0.36)
SCHEMBL6099019 0.82 ALDH1A1 (0.44) MTNR1AMTNR1BHTR2ASMN1; SMN2
SCHEMBL6101788 0.80 ALDH1A1 (0.44) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL30203278 0.80 ALDH1A1 (0.44) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL8499741 0.79 KDM4E (0.49) SMN1; SMN2

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
EP-1409476-B1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY LILLY CO ELI (US) 2004-12-15 EP disclosed