SCHEMBL8275985

SCHEMBL8275985

CC(=O)O[C@@H](C(=O)NCC1CCN(c2ccccc2C)CC1)[C@@H](OC(C)=O)C(=O)N1Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NAMPT P43490 5/20 0.39
▸ TSHR P16473 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ MTNR1A P48039 2/20 0.36
▸ MTNR1B P49286 2/20 0.36
▸ AVPR1A P37288 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ AR P10275 1/20 0.35
▸ ADRA1D P25100 1/20 0.35

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
SCHEMBL8275946 0.91 NAMPT (0.41) MEN1KMT2ANAMPTTSHRMTNR1A
SCHEMBL8415324 0.88 ADAM17 (0.47) MEN1KMT2ANAMPTDRD2ALDH1A1
SCHEMBL8216981 0.88 MEN1 (0.38) MEN1KMT2ANAMPTDRD2MTNR1A
SCHEMBL8273743 0.84 ADAM17 (0.46) MEN1KMT2ANAMPTTSHRNPC1
SCHEMBL8276821 0.83 ADAM17 (0.42) MEN1KMT2ANAMPTDRD2ALDH1A1
SCHEMBL8220841 0.83 MEN1 (0.39) MEN1KMT2ANAMPTDRD2
SCHEMBL8213997 0.83 NAMPT (0.37) MEN1KMT2ANAMPTALOX15MTNR1A
SCHEMBL8217500 0.81 ALDH1A1 (0.50) MEN1KMT2ANAMPTTSHRLMNA
SCHEMBL8415560 0.79 ADAM17 (0.40) MEN1KMT2ANAMPTDRD2MTNR1A
SCHEMBL8223675 0.79 DRD2 (0.47) NAMPTDRD2KDM4E

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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