SCHEMBL10834778

SCHEMBL10834778

CC(C)CC(n1c(=O)[nH]c2ccccc21)C(C)(C)N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.57
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HPGD P15428 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ DAO P14920 1/20 0.40
▸ B3GNT2 Q9NY97 2/20 0.37
▸ GCK P35557 2/20 0.37
▸ PGR P06401 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GRIA1 P42261 2/20 0.35
▸ GRIA2 P42262 2/20 0.35
▸ GRIA3 P42263 2/20 0.35

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
SCHEMBL10834119 0.81 POLB (0.66) POLBMEN1CYP1A2KMT2AHPGD
SCHEMBL30838374 0.74 POLB (1.00) POLBMEN1CYP1A2KMT2AHPGD
SCHEMBL828232 0.74 POLB (1.00) POLBMEN1CYP1A2KMT2AHPGD
SCHEMBL7443237 0.72 POLB (0.70) POLBMEN1CYP1A2KMT2AHPGD
SCHEMBL10833903 0.72 POLB (0.70) POLBMEN1CYP1A2KMT2AHPGD
SCHEMBL10736441 0.71 POLB (0.74) POLBMEN1CYP1A2KMT2AHPGD
SCHEMBL904825 0.71 POLB (0.74) POLBMEN1CYP1A2KMT2AHPGD
SCHEMBL7017890 0.71 POLB (0.74) POLBMEN1CYP1A2KMT2AHPGD
SCHEMBL7513143 0.71 POLB (0.68) POLBMEN1CYP1A2KMT2AHPGD
SCHEMBL14622076 0.70 POLB (0.67) POLBMEN1CYP1A2KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4604468-A ADRENERIC BLOCKING AGENTS, ANTIDEPRESSANT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 1986-08-05 — — US disclosed
US-4381309-A ADRENERGIC BLOCKING AGENTS; ANTIDEPRESSANTS BOEHRINGER INGELHEIM GMBH (DE) 1983-04-26 — — US disclosed
US-4343800-A ANTIDEPRESSANTS; ADRENERGIC BLOCKING, HYPOTENSIVE, AND ANTIARRHYTHMIA AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-10 — — US disclosed
US-4296117-A ADRENERGIC BLOCKING AGENTS, ANTIDEPRESSANTS BOEHRINGER INGELHEIM GMBH (DE) 1981-10-20 — — US disclosed
US-4256756-A ADRENERGIC BLOCKING AGENTS, ANTIDEPRESSANTS BOEHRINGER INGELHEIM GMBH (DE) 1981-03-17 — — US disclosed
US-4255430-A ANDRENERGIC RECEPTOR BLOCKING AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1981-03-10 — — US disclosed
US-4212877-A ANTIDEPRESSANTS, ADRENERGIC BLOCKING AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1980-07-15 — — US disclosed
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