SCHEMBL7733778

SCHEMBL7733778

COC(=O)[C@H](C)NCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SIGMAR1 Q99720 2/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
TSHR P16473 1/20 0.53
MGLL Q99685 1/20 0.49
OPRK1 P41145 1/20 0.49
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP2D6 P10635 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
GAA P10253 1/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47

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
SCHEMBL7733774 1.00 MAPT (0.55) MAPTL3MBTL1SIGMAR1KMT2AMEN1
SCHEMBL8360590 0.90 KMT2A (0.56) MAPTL3MBTL1SIGMAR1KMT2AMEN1
SCHEMBL3558326 0.87 SMN1; SMN2 (0.52) MAPTL3MBTL1SIGMAR1KMT2AMEN1
SCHEMBL27695649 0.85 SIGMAR1 (0.51) MAPTL3MBTL1SIGMAR1KMT2AMEN1
SCHEMBL6190817 0.85 SIGMAR1 (0.54) MAPTSIGMAR1KMT2AMEN1TSHR
SCHEMBL3824786 0.85 SIGMAR1 (0.54) MAPTSIGMAR1KMT2AMEN1TSHR
SCHEMBL2398120 0.84 KMT2A (0.66) MAPTSIGMAR1KMT2AMEN1TSHR
SCHEMBL2398115 0.84 KMT2A (0.66) MAPTSIGMAR1KMT2AMEN1TSHR
Hydrochloric Acid SCHEMBL5967359 0.83 SIGMAR1 (0.53) MAPTSIGMAR1KMT2AMEN1TSHR
SCHEMBL106076 0.83 MAPT (0.67) MAPTL3MBTL1SIGMAR1KMT2AMEN1

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 5 patents. 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
US-6245746-B1 ADMINISTERING AMIDE MICROBIOCIDE ANTIBIOTIC MICROCIDE PHARMACEUTICALS, INC. 2001-06-12 US disclosed
US-6114310-A THERAPY FOR MICROBIAL INFECTIONS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-09-05 US disclosed
WO-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 WO disclosed
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed