SCHEMBL9728500

SCHEMBL9728500

OCC(O)CN1CC=CN(c2ccccc2)N1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CFTR P13569 1/20 0.39
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9728348 0.70 SMN1; SMN2 (0.37) CFTR
SCHEMBL3192879 0.68 CFTR (0.39) CFTR
SCHEMBL9728417 0.68 L3MBTL1 (0.43) MEN1KMT2A
SCHEMBL10961509 0.66 LMNA (0.44) CFTRMEN1KMT2A
Levodropropizine SCHEMBL29043 0.63 ADRA2A (1.00) ADRA2AADRA2BADRA2CMEN1KMT2A
Dropropizine SCHEMBL93975 0.63 ADRA2A (1.00) ADRA2AADRA2BADRA2CMEN1KMT2A
Dropropizine SCHEMBL8379428 0.63 ADRA2A (1.00) ADRA2AADRA2BADRA2CMEN1KMT2A
Dropropizine SCHEMBL27495915 0.62 ADRA2A (0.97) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL1230085 0.61 CFTR (0.59) CFTRMEN1KMT2A
SCHEMBL16361382 0.61 SIGMAR1 (0.40) CFTRMEN1KMT2A

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-5098926-A Antitumor agents UNIVERSITY PATENTS, INC. (US) 1992-03-24 US disclosed
US-4888341-A 6-substituted mitomycin analogs UNIVERSITY PATENTS, INC. (US) 1989-12-19 US disclosed