SCHEMBL8275947

SCHEMBL8275947

Cc1ccccc1N1CC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 9/20 0.47
▸ NAMPT P43490 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MTNR1A P48039 5/20 0.39
▸ MTNR1B P49286 5/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AVPR1A P37288 1/20 0.38
▸ ADAM10 O14672 1/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ MMP13 P45452 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
SCHEMBL8273743 0.90 ADAM17 (0.46) ADAM17NAMPTALDH1A1HPGDSMN1; SMN2
SCHEMBL8276637 0.85 ADAM17 (0.53) ADAM17NAMPTALDH1A1MTNR1AMTNR1B
SCHEMBL8276994 0.85 NAMPT (0.49) ADAM17NAMPTALDH1A1SMN1; SMN2MEN1
SCHEMBL8217374 0.85 ADAM17 (0.45) ADAM17NAMPTMTNR1AMTNR1BMEN1
SCHEMBL8275946 0.83 NAMPT (0.41) NAMPTALDH1A1HPGDSMN1; SMN2MTNR1A
SCHEMBL8213993 0.81 ADAM17 (0.47) ADAM17NAMPTALDH1A1MEN1KMT2A
SCHEMBL8275600 0.80 ADAM17 (0.45) ADAM17NAMPTMEN1KMT2AADAM10
SCHEMBL8273738 0.78 ADAM17 (0.45) ADAM17NAMPTALDH1A1HPGDSMN1; SMN2
SCHEMBL8213991 0.78 ADAM17 (0.55) ADAM17NAMPTALDH1A1MEN1KMT2A
SCHEMBL13544350 0.78 ADAM17 (0.47) ADAM17NAMPTMEN1KMT2AADAM10

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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