SCHEMBL10912183

SCHEMBL10912183

CC(C)(C)NCC(O)COc1cccc2c1C(=O)N(CCCO[N+](=O)[O-])C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 10/20 0.47
▸ ADRB1 P08588 7/20 0.47
▸ ADRB3 P13945 3/20 0.47
▸ HTR1A P08908 3/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ OPRK1 P41145 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ GRK3 P35626 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ HTR2B P41595 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
SCHEMBL10912707 0.95 ADRB2 (0.48) ADRB2ADRB1ADRB3HTR1ATSHR
SCHEMBL10913832 0.87 KMT2A (0.41) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL10912083 0.83 ADRB2 (0.45) ADRB2ADRB1ADRB3HTR1ATSHR
SCHEMBL10911968 0.82 MEN1 (0.44) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL10716763 0.81 ABCB1 (0.41) ADRB2ADRB1ADRB3TSHRSLC6A4
SCHEMBL10909793 0.81 KMT2A (0.42) ADRB2ADRB1ADRB3TSHRMEN1
SCHEMBL10913737 0.79 ALDH1A1 (0.37) TSHRMEN1ALOX15KMT2ALMNA
Dimethylamine SCHEMBL10909871 0.79 PDE10A (0.41) HTR1ATSHRMEN1ALOX15KMT2A
SCHEMBL10909846 0.79 RAB9A (0.36) TSHRMEN1ALOX15KMT2ALMNA
SCHEMBL10911853 0.78 RAB9A (0.38) TSHRMEN1ALOX15KMT2ALMNA

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
EP-0171977-A1 Phthalimide derivatives, compositions containing them and a process for preparing them SANKYO COMPANY LIMITED (JP) 1986-02-19 — — EP disclosed
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