SCHEMBL6820484

SCHEMBL6820484

NC1CCC(=NOCc2ccccn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.39
PARP10 Q53GL7 1/20 0.37
HRH1 P35367 1/20 0.37
SLC6A4 P31645 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD4 P21917 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AURKB Q96GD4 2/20 0.35
INCENP Q9NQS7 2/20 0.35
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL6820130 0.81 SYK (0.38) SYKPARP10HRH1ALDH1A1KDM4E
SCHEMBL6826385 0.78 SIGMAR1 (0.43) ALDH1A1KDM4ESMN1; SMN2DRD4SIGMAR1
SCHEMBL6825967 0.78 SYK (0.37) SYKPARP10HRH1ALDH1A1KDM4E
SCHEMBL6820817 0.77 NPC1 (0.53) ALDH1A1MEN1KMT2AMAOAMAOB
SCHEMBL5352804 0.69 PARP10 (0.35) SYKPARP10SMN1; SMN2MEN1KMT2A
SCHEMBL5352809 0.69 PARP10 (0.35) SYKPARP10SMN1; SMN2MEN1KMT2A
SCHEMBL8472048 0.68 SMN1; SMN2 (0.49) SYKPARP10HRH1ALDH1A1KDM4E
SCHEMBL14075065 0.68 SMN1; SMN2 (0.45) SYKPARP10HRH1ALDH1A1KDM4E
SCHEMBL10843601 0.67 SMN1; SMN2 (0.44) SYKPARP10ALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL27463197 0.66 SMN1; SMN2 (0.44) SYKPARP10HRH1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004048352-A2 2-CYANOPYRROLIDINES AND THEIR ANALOGUES AS DPP-IV INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 WO disclosed