SCHEMBL11284352

SCHEMBL11284352

C=C(C(=O)N1CCNCC1)c1ccoc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
SIGMAR1 Q99720 1/20 0.41
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
SETD7 Q8WTS6 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 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
SCHEMBL3528070 0.81 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL28905737 0.75 SIGMAR1 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL28325613 0.73 MAPT (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL564791 0.69 MAPT (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1241645 0.69 TPSAB1 (0.43) SIGMAR1HPGDALDH1A1MAPTPOLB
SCHEMBL1380931 0.68 RAB9A (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL9261456 0.68 MAPT (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3513898 0.68 PTPN1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL11477543 0.67 HCAR2 (0.54) HPGDALDH1A1MAPTPOLBLMNA
SCHEMBL11284348 0.67 HCAR2 (0.54) HPGDALDH1A1MAPTPOLBLMNA

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-4352928-A ANTIINFLAMMATORY, HYPOGLYCEMIC, ANTICOAGULANT, ANOREXIGENIC, SEROTONIN EFFEC MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1982-10-05 US disclosed
EP-0022481-A1 5,6-Alkylenepyrimidine derivatives, processes for preparing the same and pharmaceutical compositions Mitsubishi Yuka Pharmaceutical Co., Ltd. (JP) 1981-01-21 EP disclosed