SCHEMBL11021273

SCHEMBL11021273

O=C1COC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.56
HTR1A P08908 2/20 0.50
DRD3 P35462 2/20 0.48
DRD2 P14416 2/20 0.48
DRD4 P21917 1/20 0.48
SLC6A4 P31645 1/20 0.48
HRH1 P35367 1/20 0.48
HTR2B P41595 1/20 0.48
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TACR2 P21452 1/20 0.47
TACR1 P25103 1/20 0.47
ADRA2A P08913 2/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
DRD1 P21728 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46

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 SCHEMBL11280259 0.99 HTR2A (0.55) HTR2AHTR1ADRD3DRD2DRD4
SCHEMBL11281420 0.86 HTR2A (0.43) HTR2ATACR2TACR1
SCHEMBL11361104 0.86 LMNA (0.63) HTR2AHTR1ADRD3DRD2DRD4
Hydrochloric Acid SCHEMBL11361513 0.85 MAPT (0.64) HTR2AHTR1ADRD3DRD2DRD4
SCHEMBL11286115 0.83 HTR2A (0.61) HTR2AHTR1ADRD2ADRA2AADRA2B
SCHEMBL11282509 0.82 SIGMAR1 (0.64) HTR2AHTR1ADRD3DRD2DRD4
SCHEMBL11295861 0.82 HTR1D (0.50) HTR1ATACR2TACR1
Hydrochloric Acid SCHEMBL11280625 0.81 SIGMAR1 (0.63) HTR2AHTR1ADRD3DRD2DRD4
SCHEMBL11283370 0.81 KDM4E (0.46) HTR2ADRD3DRD2DRD4SLC6A4
SCHEMBL11280929 0.81 HTR2A (0.53) HTR2AHTR1ADRD3DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0061333-A1 9-(2-(3-Indolyl)ethyl)-1-oxa-4,9-diazaspiro(5.5)undecan-3-ones SYNTEX (U.S.A.) INC. (US) 1982-09-29 EP claimed
US-4332804-A TREATMENT OF HYPERTENSION, CONGESTIVE HEART FAILURE, ARRHYTHMIA, MIGRAINE, VASOSPASTIC DISORDERS AND ASTHMA SYNTEX (U.S.A.) INC. (US) 1982-06-01 US claimed
JP-57169485-A None JP disclosed
EP-0061333-B1 9-(2-(3-INDOLYL)ETHYL)-1-OXA-4,9-DIAZASPIRO(5.5)UNDECAN-3-ONES SYNTEX (U.S.A.) INC. (US) 1986-01-02 EP disclosed
JP-S57169485-A 9-(2-(3-INDOLYL)ETHYL)-1-OXA-4,9- DIAZASPIRO(5,5)UNDECANE-3-ONES, MANUFACTURE AND USE SYNTEX INC 1982-10-19 JP disclosed
EP-0061333-A1 9-(2-(3-Indolyl)ethyl)-1-oxa-4,9-diazaspiro(5.5)undecan-3-ones SYNTEX (U.S.A.) INC. (US) 1982-09-29 EP disclosed
EP-0061333-A1 9-(2-(3-Indolyl)ethyl)-1-oxa-4,9-diazaspiro(5.5)undecan-3-ones SYNTEX (U.S.A.) INC. (US) 1982-09-29 EP disclosed
US-4332804-A TREATMENT OF HYPERTENSION, CONGESTIVE HEART FAILURE, ARRHYTHMIA, MIGRAINE, VASOSPASTIC DISORDERS AND ASTHMA SYNTEX (U.S.A.) INC. (US) 1982-06-01 US disclosed
US-4332804-A TREATMENT OF HYPERTENSION, CONGESTIVE HEART FAILURE, ARRHYTHMIA, MIGRAINE, VASOSPASTIC DISORDERS AND ASTHMA SYNTEX (U.S.A.) INC. (US) 1982-06-01 US disclosed