SCHEMBL9800152

SCHEMBL9800152

O=C(NCCc1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(CCNC(=O)C(F)(F)F)c2F)c1F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.35
MTNR1B P49286 10/20 0.35
NQO2 P16083 6/20 0.35
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL2837791 0.94 ALDH1A1 (0.35) MTNR1AMTNR1BNQO2
SCHEMBL9800153 0.88 HTT (0.31)
SCHEMBL2830870 0.87 DRD2 (0.36)
SCHEMBL2834282 0.86 MTNR1A (0.35) MTNR1A
SCHEMBL9800158 0.85 RIPK1 (0.31)
SCHEMBL9800226 0.85
SCHEMBL2834346 0.84 POLB (0.37)
SCHEMBL9800073 0.83 RECQL (0.39) MTNR1A
SCHEMBL9800105 0.82 METAP2 (0.30)
SCHEMBL9800114 0.81 MTNR1A (0.37) MTNR1AMTNR1B

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-5068371-A Photoinitiators for polymerization CIBA-GEIGY CORPORATION (US) 1991-11-26 US disclosed