SCHEMBL6510202

SCHEMBL6510202

Cc1ccc(C)c(CN(CCC(=O)O)Cc2cccc(Cc3ccccc3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEP1B Q16820 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 1/20 0.39
LTA4H P09960 2/20 0.39
SLC1A5 Q15758 1/20 0.39
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
PTPN1 P18031 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC3 O15379 2/20 0.38

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
SCHEMBL6511151 0.91 RAB9A (0.43) RAB9AMEP1BMTNR1AMTNR1BLTA4H
SCHEMBL6510100 0.91 FFAR1 (0.41) NPC1RAB9AMEP1BMTNR1AMTNR1B
SCHEMBL6515044 0.90 ALDH1A1 (0.41) MEP1BMTNR1AMTNR1BMEN1KMT2A
SCHEMBL6512357 0.89 TAS2R14 (0.43) NPC1RAB9AMEP1BMTNR1AMTNR1B
SCHEMBL6511876 0.87 SLC1A5 (0.43) NPC1RAB9AMEP1BMEN1KMT2A
SCHEMBL6512683 0.86 MEP1B (0.46) NPC1RAB9AMEP1BLTA4HL3MBTL1
SCHEMBL6509250 0.85 CSF1R (0.39) NPC1RAB9APTGER1PTGER4PTGER3
SCHEMBL6518329 0.85 NPC1 (0.39) NPC1RAB9AMEP1BMEN1KMT2A
SCHEMBL6511657 0.85 HDAC3 (0.50) MEP1BMTNR1AMTNR1BMEN1KMT2A
SCHEMBL6515089 0.84 POLB (0.42) MEP1BMEN1KMT2AMAPTSLC1A5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed