SCHEMBL5047006

SCHEMBL5047006

CCCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1cncc(NCC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.43
PSMB5 P28074 4/20 0.41
PSEN1 P49768 4/20 0.41
PSEN2 P49810 4/20 0.41
APH1B Q8WW43 4/20 0.41
NCSTN Q92542 4/20 0.41
APH1A Q96BI3 4/20 0.41
PSENEN Q9NZ42 4/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
FFAR1 O14842 1/20 0.40
HTT P42858 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB9 P28065 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
SCHEMBL5041099 0.90 S1PR1 (0.43) S1PR1PSMB5PSEN1PSEN2APH1B
SCHEMBL5047012 0.86 GPR132 (0.43) PSMB5ALDH1A1LMNASMN1; SMN2MME
SCHEMBL6469284 0.85 GAA (0.47) S1PR1PSMB5PSEN1PSEN2APH1B
SCHEMBL5046992 0.84 GPR132 (0.42) PSMB5ALDH1A1LMNASMN1; SMN2MME
SCHEMBL6469018 0.81 FAAH (0.47) S1PR1PSEN1PSEN2APH1BNCSTN
SCHEMBL6468835 0.81 MME (0.48) S1PR1PSMB5PSEN1PSEN2APH1B
SCHEMBL3902883 0.78 MME (0.56) PSMB5ALDH1A1LMNASMN1; SMN2MME
SCHEMBL5041103 0.76 MME (0.43) PSMB5ALDH1A1LMNASMN1; SMN2MME
SCHEMBL5139716 0.76 ALDH1A1 (0.52) PSMB5ALDH1A1LMNASMN1; SMN2MME
SCHEMBL8258819 0.76 PSEN1 (0.68) 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-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO disclosed