SCHEMBL11248582

SCHEMBL11248582

Brc1ccc2c(c1)OC1(CCNC1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.43
▸ HDAC3 O15379 4/20 0.40
▸ HDAC4 P56524 4/20 0.40
▸ HDAC1 Q13547 4/20 0.40
▸ HDAC7 Q8WUI4 4/20 0.40
▸ HDAC2 Q92769 4/20 0.40
▸ HDAC10 Q969S8 4/20 0.40
▸ HDAC11 Q96DB2 4/20 0.40
▸ HDAC8 Q9BY41 4/20 0.40
▸ HDAC6 Q9UBN7 4/20 0.40
▸ HDAC9 Q9UKV0 4/20 0.40
▸ HDAC5 Q9UQL6 4/20 0.40
▸ PNMT P11086 1/20 0.36
▸ ASIC3 Q9UHC3 1/20 0.36
▸ PARP1 P09874 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ HTR2A P28223 3/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ AHR P35869 2/20 0.32
▸ CMA1 P23946 1/20 0.32

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
SCHEMBL25337824 0.91 HTR2C (0.49) HTR2CHDAC3HDAC4HDAC1HDAC7
SCHEMBL19030724 0.82 HTR2C (0.43) HTR2CHDAC3HDAC4HDAC1HDAC7
SCHEMBL31236087 0.81 HTR2C (0.49) HTR2CHDAC3HDAC4HDAC1HDAC7
SCHEMBL31235913 0.80 HTR2C (0.40) HTR2CPNMTASIC3PARP1PARP10
Hydrochloric Acid SCHEMBL10502741 0.78 HDAC3 (0.44) HTR2CHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL10502742 0.78 HDAC3 (0.44) HTR2CHDAC3HDAC4HDAC1HDAC7
SCHEMBL11258065 0.78 HTR2C (0.47) HTR2CHDAC3HDAC4HDAC1HDAC7
SCHEMBL863663 0.78 HTR2C (0.46) HTR2CHDAC3HDAC4HDAC1HDAC7
SCHEMBL29418152 0.78 OPRD1 (0.43) HTR2CHDAC3HDAC4HDAC1HDAC7
SCHEMBL11254844 0.78 OPRD1 (0.43) HTR2CHDAC3HDAC4HDAC1HDAC7

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 3 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 disclosed
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 disclosed
US-4166119-A Analgesic and tranquilizing spiro[dihydrobenzofuran]piperidines and pyrrolidines AMERICAN HOECHST CORPORATION (US) 1979-08-28 — — US disclosed
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