SCHEMBL746563

SCHEMBL746563

COc1cc(CCN(Cc2ccc(C(C)(C)C)cc2)C(=O)c2cc(Cl)cc3c2NCCC3)cc(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.35
LPAR5 Q9H1C0 2/20 0.35
DHODH Q02127 3/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LPAR3 Q9UBY5 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
LPAR2 Q9HBW0 1/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL746728 0.88 DHODH (0.36) LPAR1LPAR5DHODHPSEN1PSEN2
SCHEMBL745512 0.87 OPRM1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL747155 0.87 TP53 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL746591 0.87 PARP1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL747110 0.87 OPRM1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL748268 0.87 TP53 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL749988 0.86 MAPT (0.37) LPAR1LPAR5LPAR3ALDH1A1LMNA
SCHEMBL751012 0.86 PARP1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL747648 0.85 PARP1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL747122 0.85 TP53 (0.33) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP claimed
US-8022217-B2 Compounds suitable as modulators of HDL CADILA HEALTHCARE LIMITED (IN) 2011-09-20 US claimed
EP-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP disclosed
US-8022217-B2 Compounds suitable as modulators of HDL CADILA HEALTHCARE LIMITED (IN) 2011-09-20 US disclosed