SCHEMBL7732462

SCHEMBL7732462

NCC1CNC(c2nc3cc(Cc4ccccc4)ccc3[nH]2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.35
GAA P10253 4/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR2B P41595 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
PKM P14618 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
XDH P47989 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL7732457 1.00 SCN10A (0.35) SCN10AGAACHRNB2CHRNA4HTR2B
SCHEMBL7732464 0.91 SCN10A (0.42) SCN10AGAAMAPTKDM4EPKM
SCHEMBL2067985 0.80 GID4 (0.41) SCN10ATDP1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL7733339 0.80 GID4 (0.41) SCN10ATDP1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL7722048 0.76 SMN1; SMN2 (0.42) TDP1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL8150633 0.74 F2 (0.39) GAAMAPTSMN1; SMN2TSHR
SCHEMBL7735942 0.74 F2 (0.39) GAAMAPTSMN1; SMN2TSHR
SCHEMBL7730858 0.74 F2 (0.39) GAAMAPTSMN1; SMN2TSHR
SCHEMBL7732752 0.72 GID4 (0.41) SCN10AGAAMAPTKDM4EPKM
SCHEMBL11718240 0.70 AOC3 (0.53) GAAMAPTKDM4EPKMTDP1

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
US-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 US disclosed