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SCHEMBL7963862

SCHEMBL7963862

CC(C)C(C(=O)C(F)(F)C(F)(F)F)N1CCC[C@H]1C(=O)NC(=O)[C@@H](NC(=O)c1ccc(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 11/20 0.58
▸ CTSG P08311 1/20 0.41
▸ MLYCD O95822 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ NR3C1 P04150 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.33

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
SCHEMBL7370365 0.98 ELANE (0.60) ELANECTSGMLYCDMALT1EPHX2
SCHEMBL6744559 0.95 ELANE (0.58) ELANECTSGMLYCDMALT1EPHX2
SCHEMBL7861404 0.91 ELANE (0.59) ELANECTSGMLYCDMALT1EPHX2
SCHEMBL7339336 0.91 ELANE (0.64) ELANECTSGMLYCDMALT1EPHX2
SCHEMBL8430121 0.90 ELANE (0.61) ELANECTSGMLYCDMALT1EPHX2
SCHEMBL7960490 0.89 ELANE (0.51) ELANECTSGMALT1NR3C1
SCHEMBL7964090 0.89 ELANE (0.51) ELANECTSGMLYCDKMT2A
SCHEMBL7278895 0.86 KMT2A (0.50) ELANECTSGKMT2A
SCHEMBL7952508 0.85 ELANE (0.48) ELANECTSGKMT2A
SCHEMBL7962916 0.84 ELANE (0.49) ELANECTSGMLYCD

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
US-6265381-B1 MORPHOLINOUREA AND RELATED DERIVATIVES OF PENTAFLUOROETHYL PEPTIDES MERRELL PHARMACEUTICALS, INC. 2001-07-24 — — US disclosed