SCHEMBL746712

SCHEMBL746712

O=C(c1cccc2c1NCCC2)N(CCc1ccc(F)cc1)Cc1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.54
F7 P08709 9/20 0.54
F2 P00734 6/20 0.54
MC4R P32245 3/20 0.41
MC5R P33032 2/20 0.41
MC3R P41968 2/20 0.39
MAPK14 Q16539 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
SLC13A5 Q86YT5 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35

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
SCHEMBL747255 0.86 F2 (0.43) F10F7F2MC4RMC3R
SCHEMBL748724 0.85 F10 (0.40) F10F7F2MC4RMC5R
SCHEMBL750565 0.85 TACR1 (0.40) F10F7F2SLC13A5LPAR1
SCHEMBL747101 0.84 F2 (0.39) F10F7F2SLC13A5LPAR1
SCHEMBL746610 0.84 TP53 (0.42) F10F7F2SLC13A5LPAR1
SCHEMBL745468 0.83 F2 (0.38) F10F7F2SLC13A5LPAR1
SCHEMBL747640 0.79 TP53 (0.41) F10F7F2SLC13A5LPAR1
SCHEMBL745473 0.78 KMT2A (0.44) SLC13A5LPAR1LPAR5
SCHEMBL749589 0.76 MAPT (0.48) SLC13A5
SCHEMBL748780 0.76 TP53 (0.35) F10F7F2SLC13A5

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