SCHEMBL6946683

SCHEMBL6946683

CC(CCc1ccccc1)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 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.43
PSEN2 P49810 11/20 0.43
APH1B Q8WW43 11/20 0.43
NCSTN Q92542 11/20 0.43
APH1A Q96BI3 11/20 0.43
PSENEN Q9NZ42 11/20 0.43
REN P00797 1/20 0.41
BACE1 P56817 5/20 0.41
ABCC3 O15438 1/20 0.40
ABCC4 O15439 1/20 0.40
CACNA1F O60840 1/20 0.40
ABCB11 O95342 1/20 0.40
ABCB1 P08183 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
TACR2 P21452 1/20 0.40
TBXAS1 P24557 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL6953154 0.93 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6947880 0.93 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6950300 0.91 CYP3A4 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6711001 0.89 CYP3A4 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6947761 0.88 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6950150 0.83 CYP3A4 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6947796 0.83 CYP3A4 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6953685 0.83 CYP3A4 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6952143 0.83 CYP3A4 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6946694 0.82 CYP3A4 (0.46) 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