SCHEMBL7361293

SCHEMBL7361293

COc1ccc(CC2CCCN2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.56
CHRNA3 P32297 3/20 0.56
KDM4E B2RXH2 1/20 0.51
PDE4B Q07343 1/20 0.49
CA2 P00918 5/20 0.49
CA1 P00915 4/20 0.49
CA9 Q16790 4/20 0.49
CA12 O43570 2/20 0.49
HTR6 P50406 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL7381786 1.00 CHRNB4 (0.56) CHRNB4CHRNA3KDM4EPDE4BCA2
SCHEMBL7379366 1.00 CHRNB4 (0.56) CHRNB4CHRNA3KDM4EPDE4BCA2
Hydrochloric Acid SCHEMBL9658987 0.98 CHRNB4 (0.54) CHRNB4CHRNA3KDM4EPDE4BCA2
Hydrochloric Acid SCHEMBL9658991 0.98 CHRNB4 (0.54) CHRNB4CHRNA3KDM4EPDE4BCA2
Hexane SCHEMBL7381907 0.93 CHRNB4 (0.50) CHRNB4CHRNA3KDM4EPDE4BCA2
SCHEMBL27870139 0.87 CHRNB4 (0.49) CHRNB4CHRNA3KDM4EPDE4BCA2
SCHEMBL27516106 0.87 CHRNB4 (0.55) CHRNB4CHRNA3KDM4E
SCHEMBL14683211 0.87 CHRNB4 (0.49) CHRNB4CHRNA3HTR6POLB
SCHEMBL9853143 0.87 GAA (0.51) CHRNB4CHRNA3KDM4EPDE4BHTR6
SCHEMBL9852941 0.82 SMN1; SMN2 (0.46) CHRNB4CHRNA3HTR6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5135944-A Bis(benzylpyrrolidine) derivatives useful for treating congestive heart failure and acute renal failure SYNTEX (U.S.A.) INC. (US) 1992-08-04 US disclosed
US-5130432-A Process for preparing cyclic amines and intermediate products thereof SYNTEX (U.S.A.) INC. (US) 1992-07-14 US disclosed
US-5100912-A Hypotensive agents, treatment of congestive heart failure SYNTEX (U.S.A.) INC. (US) 1992-03-31 US disclosed
US-5093355-A Hypotensive agents, cardiovascular disorders, renal failure SYNTEX (U.S.A.) INC. (US) 1992-03-03 US disclosed
EP-0426075-A1 Benzylpyrrolidine derivatives as dopamine agonists SYNTEX (U.S.A.) INC. (US) 1991-05-08 EP disclosed
EP-0404115-A1 Bis(benzylpyrrolidine)Derivatives as dopamine agonists SYNTEX (U.S.A.) INC. (US) 1990-12-27 EP disclosed
EP-0393074-A1 NEW PYRROLIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1990-10-24 EP disclosed
WO-1989003824-A1 NEW PYRROLIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1989-05-05 WO disclosed
EP-0314038-A1 Pyrrolidines Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1989-05-03 EP disclosed
US-4279918-A ANTIDEPRESSANTS, STIMULANTS BYK GULDEN LOMBERG CHEMISCHE FABRIK G.M.B.H. (DE) 1981-07-21 US disclosed