SCHEMBL8337922

SCHEMBL8337922

O=C1CCCc2ccsc2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
CRBN Q96SW2 3/20 0.44
PNMT P11086 1/20 0.34
NPC1 O15118 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PARP1 P09874 1/20 0.33
KIF11 P52732 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31

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
SCHEMBL31125018 0.88 NPC1 (0.44) MAPTCRBNPNMTNPC1MAPK13
SCHEMBL6626771 0.78
SCHEMBL12230615 0.77 PNMT (0.43) PNMTTAAR1
SCHEMBL3048551 0.71 HPGD (0.50) MAPTCRBNNPC1MAPK13MAPK12
SCHEMBL9923686 0.69
SCHEMBL14181104 0.68 PNMT (0.41) CRBNPNMTTAAR1TSHR
SCHEMBL8119999 0.67 MAPT (0.70) MAPTCRBNNPC1MAPK13MAPK12
SCHEMBL9038779 0.67 RAB9A (0.51) MAPTCRBNNPC1MAPK13MAPK12
SCHEMBL631537 0.65 MAOA (0.42) PNMTTAAR1ALDH1A1MEN1TSHR
SCHEMBL15985170 0.65 NPC1 (0.50) MAPTPNMTNPC1MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919778-A Cyclic amide derivatives EISAI CO., LTD. (JP) 1999-07-06 US disclosed
US-5654308-A PREVENT OR TREAT DISEASE DUE TO INSUFFICIENT CHOLINE FUNCTION EISAI CO., LTD. (JP) 1997-08-05 US disclosed
US-5620976-A PREVENTION AND TREATMENT OF DISEASES DUE TO INSUFFICIENCY OF THE CENTRAL CHOLINE FUNCTIONS EISAI CO., LTD. (JP) 1997-04-15 US disclosed
EP-0742216-A2 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1996-11-13 EP disclosed
US-5521182-A ACETYLCHOLINESTERASE INHIBITORS EISAI CO., LTD. (JP) 1996-05-28 US disclosed
US-5504088-A ACETYLCHOLINE ESTERASE INHIBITORS; ALZHEIMER'S DISEASE AND OTHER DISEASES CAUSED BY A LOW CONCENTRATION OF CHOLINE EISAI CO., LTD. (JP) 1996-04-02 US disclosed
EP-0677516-A1 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1995-10-18 EP disclosed