SCHEMBL11255683

SCHEMBL11255683

O=[N+]([O-])c1ccc2c(c1)CC1(CCNCC1)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.44
ADRA2A P08913 3/20 0.44
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP2 O95551 1/20 0.40
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
ADRB1 P08588 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
CA12 O43570 1/20 0.37

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
Hydrochloric Acid SCHEMBL11261343 0.99 PNMT (0.43) PNMTADRA2AMEN1MAPTKMT2A
SCHEMBL13339672 0.83 HDAC3 (0.53) MEN1KMT2AHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL3494948 0.82 HDAC3 (0.52) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL20620241 0.80 TDP2 (0.43) PNMTADRA2AMEN1KMT2ATDP2
SCHEMBL11918666 0.78 PNMT (0.43) PNMTADRA2AMEN1MAPTKMT2A
SCHEMBL8912479 0.77 ALDH1A1 (0.45) MAPTKMT2AHDAC3HDAC4HDAC1
SCHEMBL10637355 0.76 AKR1B1 (0.48) PNMTADRA2AMEN1MAPTKMT2A
SCHEMBL23110710 0.76 ALDH1A1 (0.36) MEN1MAPTKMT2AHDAC3HDAC4
SCHEMBL19030247 0.76 MAPT (0.38) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL12862872 0.75 ADRA2A (0.41) PNMTADRA2AMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0004952-B1 SPIRO-(DIHYDROBENZOFURANPIPERIDINES AND -PYRROLIDINES) AND DERIVATIVES THEREOF, METHODS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1982-04-07 EP claimed
EP-0004952-A1 Spiro-(dihydrobenzofuranpiperidines and -pyrrolidines) and derivatives thereof, methods for their preparation and medicines containing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-10-31 EP claimed
US-4166119-A Analgesic and tranquilizing spiro[dihydrobenzofuran]piperidines and pyrrolidines AMERICAN HOECHST CORPORATION (US) 1979-08-28 US claimed
EP-0004951-B1 N-(3-BENZOYLPROPYL)-SPIRO-(DIHYDROBENZOFURANPIPERIDINES AND -PYRROLIDINES), DERIVATIVES THEREOF, METHODS FOR THEIR PREPARATION AND THEIR USE FOR MEDICINES HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-13 EP disclosed
EP-0004951-A1 N-(3-benzoylpropyl)-spiro-(dihydrobenzofuranpiperidines and -pyrrolidines), derivatives thereof, methods for their preparation and their use for medicines HOECHST AKTIENGESELLSCHAFT (DE) 1979-10-31 EP disclosed
US-4166120-A Analgesic and tranquilizing benzoylpropyl-spiro[dihydrobenzofuran]piperidines and pyrrolidines AMERICAN HOECHST CORPORATION (US) 1979-08-28 US disclosed