SCHEMBL8275946

SCHEMBL8275946

CC(=O)O[C@@H](C(=O)NCC1CN(c2ccccc2C)C1)[C@@H](OC(C)=O)C(=O)N1Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.41
▸ MTNR1A P48039 5/20 0.38
▸ MTNR1B P49286 5/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ AVPR1A P37288 2/20 0.35
▸ HDAC8 Q9BY41 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ DPP8 Q6V1X1 2/20 0.33
▸ DPP9 Q86TI2 2/20 0.33
▸ DPP7 Q9UHL4 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ DPP4 P27487 1/20 0.33

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
SCHEMBL8275985 0.91 MEN1 (0.41) NAMPTMTNR1AMTNR1BALDH1A1HPGD
SCHEMBL8415560 0.88 ADAM17 (0.40) NAMPTMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL8223637 0.87 NAMPT (0.39) NAMPTMTNR1AMTNR1BMEN1KMT2A
SCHEMBL8223144 0.84 NAMPT (0.47) NAMPTALDH1A1MEN1KMT2ANOTUM
SCHEMBL8275947 0.83 ADAM17 (0.47) NAMPTMTNR1AMTNR1BALDH1A1HPGD
SCHEMBL8276821 0.81 ADAM17 (0.42) NAMPTALDH1A1HPGDMEN1KMT2A
SCHEMBL8213997 0.81 NAMPT (0.37) NAMPTMTNR1AMTNR1BALDH1A1HPGD
SCHEMBL8415324 0.79 ADAM17 (0.47) NAMPTALDH1A1MEN1KMT2A
SCHEMBL8216981 0.78 MEN1 (0.38) NAMPTMTNR1AMTNR1BMEN1KMT2A
SCHEMBL8220841 0.77 MEN1 (0.39) NAMPTMEN1KMT2ADPP8DPP9

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-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — WO disclosed
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