SCHEMBL9772117

SCHEMBL9772117

O=C(ON1CCC=C(c2ncco2)C1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.36
HPGDS O60760 1/20 0.35
LTA4H P09960 3/20 0.34
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
FAAH O00519 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
HDAC4 P56524 1/20 0.32
AOC3 Q16853 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
BRD4 O60885 1/20 0.31
GLRA3 O75311 1/20 0.31
GLRB P48167 1/20 0.31
CASP3 P42574 1/20 0.30
SENP7 Q9BQF6 1/20 0.30

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
SCHEMBL20028325 0.81 SMO (0.36) SMOHPGDSLTA4HFAAHKMT2A
SCHEMBL20028324 0.80 SMO (0.37) SMOHPGDSLTA4HFAAHKMT2A
SCHEMBL27312693 0.73 TSHR (0.42) POLBMAPTALDH1A1KMT2ACASP3
SCHEMBL20028531 0.71 LTA4H (0.34) SMOLTA4HKMT2A
SCHEMBL9772056 0.70 CHRM1 (0.31) LTA4HCHRM2CHRM4CHRM5CHRM1
SCHEMBL9702274 0.68 SMN1; SMN2 (0.45) MAPTHDAC4CHRM2CHRM4CHRM5
SCHEMBL21361040 0.68 CHRNB2 (0.39) POLBALDH1A1KMT2AF2LMNA
SCHEMBL27045573 0.68 F2 (0.47) POLBMAPTALDH1A1KMT2ACASP3
SCHEMBL1266020 0.68 F2 (0.47) POLBMAPTALDH1A1KMT2ACASP3
SCHEMBL26429014 0.67 LMNA (0.42) MAPTKMT2AF2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5053416-A Alzheimer's disease; central cholinomimetic activity ROUSSEL UCLAF (FR) 1991-10-01 US disclosed
EP-0376848-A1 Thiazolyl or oxazolyl substituted 1,2,5,6-tetrahydropyridine derivatives, process and intermediates for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1990-07-04 EP disclosed