SCHEMBL8273765

SCHEMBL8273765

O=C(NCC1CCN(c2ccc(F)cc2O)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 7/20 0.43
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NAMPT P43490 3/20 0.38
▸ SCN5A Q14524 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ TAS1R2 Q8TE23 1/20 0.38
▸ DPP4 P27487 3/20 0.36
▸ DPP8 Q6V1X1 3/20 0.36
▸ DPP9 Q86TI2 3/20 0.36
▸ CHRM4 P08173 1/20 0.35
▸ DPP7 Q9UHL4 2/20 0.35
▸ NPC1 O15118 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
SCHEMBL14494381 1.00 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTSCN5A
SCHEMBL8222034 0.90 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTSCN5A
SCHEMBL8276118 0.90 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTSCN5A
SCHEMBL8274407 0.90 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTSCN5A
SCHEMBL13544350 0.88 ADAM17 (0.47) ADAM17MEN1KMT2ANAMPT
SCHEMBL8222661 0.88 ADAM17 (0.53) ADAM17MEN1KMT2ASCN5ASCN9A
SCHEMBL8221017 0.88 ADAM17 (0.42) ADAM17MEN1KMT2ANAMPTDPP8
SCHEMBL8275183 0.88 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTSCN5A
SCHEMBL8213656 0.86 ADAM17 (0.54) ADAM17MEN1KMT2ANAMPTSCN5A
SCHEMBL8221487 0.85 ADAM17 (0.40) ADAM17MEN1KMT2ANAMPTDPP4

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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