SCHEMBL750565

SCHEMBL750565

O=C(c1cccc2c1NCCC2)N(CCc1ccc(F)cc1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
F7 P08709 1/20 0.40
SLC13A5 Q86YT5 1/20 0.37
SLC6A4 P31645 1/20 0.36
GPR52 Q9Y2T5 1/20 0.35
PTGER4 P35408 1/20 0.34
PTGER2 P43116 1/20 0.34
GPBAR1 Q8TDU6 2/20 0.34
LPAR1 Q92633 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33

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
SCHEMBL747101 0.93 F2 (0.39) TACR1F2F10F7SLC13A5
SCHEMBL747162 0.88 TACR1 (0.37) TACR1SLC13A5
SCHEMBL746610 0.86 TP53 (0.42) F2F10F7SLC13A5PTGER2
SCHEMBL749644 0.86 TACR1 (0.39) TACR1SLC13A5SLC6A4PTGER4PTGER2
SCHEMBL746712 0.85 F10 (0.54) F2F10F7SLC13A5LPAR1
SCHEMBL745478 0.82 TP53 (0.38) TACR1F2F10F7SLC6A4
SCHEMBL747640 0.82 TP53 (0.41) F2F10F7SLC13A5LPAR1
SCHEMBL745468 0.82 F2 (0.38) F2F10F7SLC13A5LPAR1
SCHEMBL749589 0.79 MAPT (0.48) SLC13A5PTGER2
SCHEMBL748780 0.79 TP53 (0.35) F2F10F7SLC13A5

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
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