SCHEMBL9702274

SCHEMBL9702274

O=C(ON1CCC=C(c2nc(-c3ccccc3)no2)C1)C(=O)ON1CCC=C(c2nc(-c3ccccc3)no2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
CHRM2 P08172 5/20 0.44
CHRM4 P08173 5/20 0.44
CHRM5 P08912 5/20 0.44
CHRM1 P11229 5/20 0.44
CHRM3 P20309 5/20 0.44
NR1H4 Q96RI1 1/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CHUK O15111 1/20 0.40
CASP3 P42574 1/20 0.40
TXNRD1 Q16881 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
NOX4 Q9NPH5 1/20 0.40

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
SCHEMBL9703123 0.82 NPC1 (0.47) SMN1; SMN2MAPTNPC1RAB9AHDAC4
SCHEMBL10420361 0.80 CHRM2 (0.63) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL9704025 0.80 CHRM2 (0.70) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL9704011 0.80 CHRM2 (0.70) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9702340 0.77 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10419461 0.77 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9704120 0.77 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9704156 0.75 CHRM2 (0.67) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9404512 0.75 CHRM2 (0.43) SMN1; SMN2CHRM2CHRM4CHRM5CHRM1
SCHEMBL9404302 0.75 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0259621-B1 PIPERIDINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-11-25 EP disclosed
US-4933353-A ALZHEIMER*S DISEASE A/S FERROSAN (DE) 1990-06-12 US disclosed
US-4837241-A TREATMENT OF ALZEHEIMER*S DISEASE A/S FERROSAN (DK) 1989-06-06 US disclosed