SCHEMBL6945023

SCHEMBL6945023

CC(C)[C@H](NCc1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.47
PSEN2 P49810 11/20 0.47
APH1B Q8WW43 11/20 0.47
NCSTN Q92542 11/20 0.47
APH1A Q96BI3 11/20 0.47
PSENEN Q9NZ42 11/20 0.47
BACE1 P56817 4/20 0.46
KLK5 Q9Y337 1/20 0.44

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
SCHEMBL6942382 0.90 CTSD (0.42) BACE1
SCHEMBL6947880 0.88 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6953154 0.88 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6712577 0.87 CCR1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6946683 0.81 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6947761 0.80 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6712827 0.79 CYP3A4 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6947796 0.78 CYP3A4 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6952143 0.78 CYP3A4 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6953685 0.78 CYP3A4 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633881-B1 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS NARHEX LTD (HK) 2003-10-29 EP claimed
EP-0633881-B1 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS NARHEX LTD (HK) 2003-10-29 EP disclosed
US-6258806-B1 PEPTIDES WITH CYCLIC DIAZAALKANES FOR PREVENTION OF PREMATURE METABOLISM METHOD FOR INHIBITING AN HIV PROTEASE IN A MAMMAL IN NEED OF SUCH PROTEASE INHIBITION, COMPRISING ADMINISTERING TO SAID MAMMAL AN EFFECTIVE DOSAGE NARHEX LIMITED (HK) 2001-07-10 US disclosed