SCHEMBL21067316

SCHEMBL21067316

Oc1cc(O)c(-c2[nH]ncc2N2CCNCC2)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 13/20 1.00
▸ HSP90AB1 P08238 13/20 1.00
▸ HTR7 P34969 7/20 0.66
▸ HTR2B P41595 6/20 0.58
▸ HTR1A P08908 5/20 0.58
▸ HTR6 P50406 5/20 0.58
▸ HTR3A P46098 4/20 0.58
▸ HTR2A P28223 2/20 0.58
▸ HTR5A P47898 2/20 0.58
▸ HTR2C P28335 1/20 0.56
▸ HTR1D P28221 1/20 0.53

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
SCHEMBL21067834 0.76 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL4474252 0.74 HSP90AA1 (0.59) HSP90AA1HSP90AB1HTR3A
SCHEMBL3803829 0.70 HTR7 (0.59) HSP90AA1HSP90AB1HTR7HTR2BHTR1A
SCHEMBL4483461 0.69 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL4930499 0.68 HSP90AA1 (0.51) HSP90AA1HSP90AB1HTR7HTR1AHTR3A
SCHEMBL4483335 0.68 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL2738997 0.67 ADRB1 (0.71) HSP90AA1HSP90AB1HTR7HTR2BHTR1A
SCHEMBL23216866 0.67 ADRB1 (0.53) HSP90AA1HSP90AB1HTR7HTR2BHTR1A
Hydrochloric Acid SCHEMBL2767700 0.66 ADRB1 (0.69) HSP90AA1HSP90AB1HTR7HTR2BHTR1A
SCHEMBL14081025 0.65 POLB (0.76) HTR7HTR2BHTR1AHTR6HTR3A

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-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 — — US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 — — US disclosed
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