SCHEMBL6953154

SCHEMBL6953154

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.45
PSEN2 P49810 12/20 0.45
APH1B Q8WW43 12/20 0.45
NCSTN Q92542 12/20 0.45
APH1A Q96BI3 12/20 0.45
PSENEN Q9NZ42 12/20 0.45
REN P00797 2/20 0.43
BACE1 P56817 4/20 0.43
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL6947880 1.00 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6946683 0.93 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6947761 0.91 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6947796 0.91 CYP3A4 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6953685 0.90 CYP3A4 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6952143 0.90 CYP3A4 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6946694 0.89 CYP3A4 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6945023 0.88 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6712827 0.88 CYP3A4 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6651378 0.88 REN (0.42) 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 2 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
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