SCHEMBL8276986

SCHEMBL8276986

O=C(NCC1CCN(c2ccncc2C(F)(F)F)CC1)C(O)C(O)C(=O)N1Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 4/20 0.42
▸ NAMPT P43490 12/20 0.40
▸ TRPV1 Q8NER1 3/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL8221403 1.00 ADAM17 (0.42) ADAM17NAMPTTRPV1MEN1KMT2A
SCHEMBL8276662 1.00 ADAM17 (0.42) ADAM17NAMPTTRPV1MEN1KMT2A
SCHEMBL8221020 0.84 RBP4 (0.46) ADAM17TRPV1
SCHEMBL8221943 0.83 CHRM4 (0.43) ADAM17NAMPT
SCHEMBL8217041 0.80 CHRM4 (0.47) ADAM17NAMPTMEN1KMT2A
SCHEMBL13544350 0.80 ADAM17 (0.47) ADAM17NAMPTMEN1KMT2A
SCHEMBL8273743 0.80 ADAM17 (0.46) ADAM17NAMPTMEN1KMT2A
SCHEMBL8276666 0.79 ADAM17 (0.43) ADAM17NAMPTMEN1KMT2A
SCHEMBL8274405 0.79 ADAM17 (0.43) ADAM17NAMPTMEN1KMT2A
SCHEMBL8275285 0.78 NAMPT (0.42) NAMPT

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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