SCHEMBL8273743

SCHEMBL8273743

Cc1ccccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 9/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NAMPT P43490 3/20 0.42
▸ TSHR P16473 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ADAM10 O14672 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ AVPR1A P37288 1/20 0.38
▸ AR P10275 1/20 0.38

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
SCHEMBL8275947 0.90 ADAM17 (0.47) ADAM17MEN1KMT2ANAMPTADAM10
SCHEMBL13544350 0.89 ADAM17 (0.47) ADAM17MEN1KMT2ANAMPTADAM10
SCHEMBL8217012 0.87 HTR1A (0.47) ADAM17MEN1KMT2ANAMPTLMNA
SCHEMBL8273353 0.86 ADAM17 (0.61) ADAM17MEN1KMT2ANAMPTADAM10
SCHEMBL8274846 0.86 ADAM17 (0.61) ADAM17MEN1KMT2ANAMPTADAM10
SCHEMBL8220831 0.85 ADAM17 (0.46) ADAM17MEN1KMT2ANAMPTADAM10
SCHEMBL8275874 0.85 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTTSHR
SCHEMBL8275985 0.84 MEN1 (0.41) MEN1KMT2ANAMPTTSHRNPC1
SCHEMBL8276666 0.84 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTADAM10
SCHEMBL8274405 0.84 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTADAM10

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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