SCHEMBL6825967

SCHEMBL6825967

CC1(N)CCC(=NOCc2ccccn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AURKB Q96GD4 3/20 0.36
INCENP Q9NQS7 3/20 0.36
PARP10 Q53GL7 1/20 0.35
HPGD P15428 1/20 0.35
HRH1 P35367 1/20 0.35
PTPN11 Q06124 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL6825995 0.81 DRD4 (0.33) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6820130 0.79 SYK (0.38) SYKKDM4EALDH1A1SMN1; SMN2AURKB
SCHEMBL6820484 0.78 SYK (0.39) SYKKDM4EALDH1A1SMN1; SMN2AURKB
SCHEMBL6826220 0.75 RAB9A (0.37) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6826385 0.69 SIGMAR1 (0.43) KDM4EALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL8472048 0.66 SMN1; SMN2 (0.49) SYKKDM4EALDH1A1SMN1; SMN2PARP10
SCHEMBL14075065 0.66 SMN1; SMN2 (0.45) SYKKDM4EALDH1A1SMN1; SMN2AURKB
SCHEMBL15865998 0.65 SMN1; SMN2 (0.46) SYKKDM4EALDH1A1SMN1; SMN2AURKB
SCHEMBL15865983 0.65 ALDH1A1 (0.45) SYKKDM4EALDH1A1SMN1; SMN2AURKB
Hydrochloric Acid SCHEMBL27463197 0.65 SMN1; SMN2 (0.44) SYKKDM4EALDH1A1SMN1; SMN2AURKB

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-2004099185-A1 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS DPP-IV INHIBITORS FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-11-18 WO disclosed