SCHEMBL23928002

SCHEMBL23928002

O=C1[C@H](Cc2cnc[nH]2)N=C(O)[C@@H]2CCCCN12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
HRH4 Q9H3N8 8/20 0.44
HTR3A P46098 1/20 0.44
HRH3 Q9Y5N1 13/20 0.43
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL12228287 0.72 SMN1; SMN2 (1.00) SMN1; SMN2HRH4HTR3AHRH3CHRM2
SCHEMBL22096056 0.72 SMN1; SMN2 (1.00) SMN1; SMN2HRH4HTR3AHRH3CHRM2
SCHEMBL4316806 0.72 SMN1; SMN2 (1.00) SMN1; SMN2HRH4HTR3AHRH3CHRM2
SCHEMBL4316809 0.72 SMN1; SMN2 (1.00) SMN1; SMN2HRH4HTR3AHRH3CHRM2
SCHEMBL26786348 0.68 SMN1; SMN2 (0.67) SMN1; SMN2HRH4HTR3AHRH3CHRM2
SCHEMBL13754187 0.67 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL22096057 0.66 SMN1; SMN2 (0.61) SMN1; SMN2HRH4HTR3AHRH3CHRM2
SCHEMBL18325628 0.63 HRH4 (1.00) HRH4HTR3AHRH3
SCHEMBL8711763 0.63 HRH3 (0.56) SMN1; SMN2HRH4HTR3AHRH3CHRM2
SCHEMBL23054324 0.61 SMN1; SMN2 (0.57) SMN1; SMN2HRH4HTR3AHRH3CHRM2

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-12153055-B2 Methods of detecting and treating airway inflammatory diseases NATIONAL JEWISH HEALTH (US) 2024-11-26 US disclosed
US-20210333289-A1 METHODS OF DETECTING AND TREATING AIRWAY INFLAMMATORY DISEASES NATIONAL JEWISH HEALTH 2021-10-28 US disclosed