SCHEMBL4204512

SCHEMBL4204512

O=C(Nc1ccc(Cl)cc1C(=O)N1CCN(CCN2CCOCC2)CC1)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.55
▸ LMNA P02545 1/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ CNR1 P21554 4/20 0.52
▸ CNR2 P34972 2/20 0.52
▸ BACE1 P56817 3/20 0.50
▸ POLB P06746 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ F10 P00742 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
SCHEMBL4200262 0.90 MEN1 (0.56) LMNAMEN1KMT2ARAB9ACNR1
SCHEMBL5226149 0.87 MEN1 (0.55) LMNAMEN1KMT2ARAB9ACNR1
SCHEMBL5258790 0.87 HTT (0.70) HTTLMNAMEN1KMT2ARAB9A
SCHEMBL5261323 0.85 HTT (0.62) HTTLMNAMEN1KMT2ACNR1
SCHEMBL4186581 0.84 CNR1 (0.62) LMNAMEN1KMT2ARAB9ACNR1
SCHEMBL4195045 0.81 MEN1 (0.57) HTTLMNAMEN1KMT2ARAB9A
SCHEMBL5223032 0.80 CNR1 (0.60) LMNAMEN1KMT2ARAB9ACNR1
SCHEMBL17554166 0.77 BCL3 (0.73) HTTMEN1KMT2APOLBALDH1A1
SCHEMBL4192268 0.76 CNR1 (0.58) LMNAMEN1KMT2ARAB9ACNR1
SCHEMBL4194283 0.76 CNR1 (0.62) LMNAMEN1KMT2ARAB9ACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756044-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2007-02-28 — — EP claimed
WO-2005115972-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2005-12-08 — — WO claimed
EP-1756044-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2007-02-28 — — EP disclosed
WO-2005115972-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2005-12-08 — — WO disclosed
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