SCHEMBL6884493

SCHEMBL6884493

CC(=O)NCCc1cc(Br)ccc1F

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.57
MTNR1A P48039 3/20 0.57
NOTUM Q6P988 1/20 0.47

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
SCHEMBL18497253 0.85
SCHEMBL1477663 0.84 SETDB1 (0.56) MTNR1BMTNR1A
SCHEMBL17689405 0.84 MTNR1A (0.59) MTNR1BMTNR1ANOTUM
SCHEMBL5037850 0.79 MTNR1A (0.45) MTNR1BMTNR1ANOTUM
SCHEMBL6555821 0.79 MTNR1B (0.64) MTNR1BMTNR1A
SCHEMBL31039288 0.78 MTNR1B (0.53) MTNR1BMTNR1ANOTUM
SCHEMBL1010476 0.77 MTNR1A (0.61) MTNR1BMTNR1A
SCHEMBL14432149 0.76 DGAT1 (0.41)
SCHEMBL5041138 0.75 EGFR (0.46)
SCHEMBL27860277 0.75 ALDH1A1 (0.44)

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
WO-2004075846-A2 PYRAZOLOPURINE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-10 WO disclosed