SCHEMBL21067341

SCHEMBL21067341

NCCc1ccc(O)c(C2CCCCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 1.00
▸ NUDT1 P36639 1/20 1.00
▸ MAPK1 P28482 3/20 0.53
▸ TAAR1 Q96RJ0 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ ADRA2A P08913 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ DRD2 P14416 2/20 0.53
▸ DRD1 P21728 2/20 0.53
▸ DRD4 P21917 2/20 0.53
▸ DRD5 P21918 2/20 0.53
▸ SLC6A2 P23975 2/20 0.53
▸ DRD3 P35462 2/20 0.53
▸ RECQL P46063 2/20 0.53
▸ SLC6A3 Q01959 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ APEX1 P27695 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ ADRB2 P07550 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
SCHEMBL10597858 0.90 BACE1 (0.81) BACE1NUDT1MAPK1TAAR1KDM4E
SCHEMBL10596917 0.87 NUDT1 (0.77) BACE1NUDT1ALOX15HSP90AA1THRB
SCHEMBL10595253 0.87 NUDT1 (0.77) BACE1NUDT1ALOX15HSP90AA1THRB
SCHEMBL28265234 0.85 NUDT1 (0.74) BACE1NUDT1ALOX15HSP90AA1THRB
SCHEMBL3812723 0.85 BACE1 (0.74) BACE1NUDT1KDM4EMAPTALDH1A1
SCHEMBL10594734 0.85 NUDT1 (0.74) BACE1NUDT1ALOX15HSP90AA1THRB
SCHEMBL917277 0.84 NUDT1 (0.72) BACE1NUDT1DRD2DRD1DRD4
SCHEMBL16499437 0.83 BACE1 (0.71) BACE1NUDT1MAPK1TAAR1KDM4E
SCHEMBL7182409 0.83 NUDT1 (0.71) BACE1NUDT1KDM4EMAPTGAA
SCHEMBL2909089 0.83 BACE1 (0.70) BACE1NUDT1KDM4EMAPTALDH1A1

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
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 — — US disclosed
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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