SCHEMBL747101

SCHEMBL747101

O=C(c1cccc2c1NCCC2)N(CCc1ccc(F)cc1)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
F7 P08709 1/20 0.39
SLC13A5 Q86YT5 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
LPAR1 Q92633 3/20 0.36
LPAR5 Q9H1C0 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.35
TACR1 P25103 2/20 0.35
SRC P12931 1/20 0.34
MCHR1 Q99705 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL750565 0.93 TACR1 (0.40) F2F10F7SLC13A5LPAR1
SCHEMBL746610 0.92 TP53 (0.42) F2F10F7SLC13A5LPAR1
SCHEMBL747640 0.87 TP53 (0.41) F2F10F7SLC13A5LPAR1
SCHEMBL747162 0.86 TACR1 (0.37) SLC13A5KMT2ATACR1TP53MAPT
SCHEMBL745468 0.85 F2 (0.38) F2F10F7SLC13A5LPAR1
SCHEMBL748116 0.85 SRC (0.39) SLC13A5PSEN1PSEN2APH1BNCSTN
SCHEMBL749589 0.85 MAPT (0.48) SLC13A5KMT2ASRCPKMSLC2A1
SCHEMBL746712 0.84 F10 (0.54) F2F10F7SLC13A5LPAR1
SCHEMBL745473 0.84 KMT2A (0.44) SLC13A5LPAR1LPAR5KMT2AMAPT
SCHEMBL745478 0.84 TP53 (0.38) F2F10F7PSEN1PSEN2

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