SCHEMBL9045734

SCHEMBL9045734

O=C(O)[C@@H]1CCN[C@@H]1c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.57
CHRNA4 P43681 8/20 0.57
CHRNA7 P36544 6/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP2A6 P11509 2/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP11B2 P19099 1/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB4 P30926 1/20 0.41

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
SCHEMBL9344619 1.00 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA7KDM4EALDH1A1
SCHEMBL31614673 0.92 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA7KDM4EALDH1A1
SCHEMBL30233685 0.88 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA7KDM4EALDH1A1
SCHEMBL2916919 0.82 SLC1A2 (0.47) MEN1KMT2AMAPT
SCHEMBL4780390 0.82 SLC1A2 (0.47) MEN1KMT2AMAPT
SCHEMBL9047769 0.82 SLC1A2 (0.47) MEN1KMT2AMAPT
SCHEMBL30361419 0.78 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL30361535 0.78 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL9354433 0.77 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA7KDM4EALDH1A1
SCHEMBL17474488 0.74 KDM1A (0.48) CHRNB2CHRNA4CHRNA7KDM4EALDH1A1

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
EP-0549407-B1 Novel pyrrolidine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1996-09-25 EP disclosed
EP-0549407-A1 Novel pyrrolidine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-06-30 EP disclosed