SCHEMBL29778258

SCHEMBL29778258

CN(C)CCCOc1ccccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 3/20 0.49
▸ HRH1 P35367 1/20 0.47
▸ HTR7 P34969 2/20 0.42
▸ LSS P48449 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41

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
SCHEMBL13043663 0.88 LPL (0.40) —
SCHEMBL18174184 0.88 LPL (0.40) HTR1B
SCHEMBL262784 0.82 LPL (0.36) KDM4E
SCHEMBL26336096 0.82 LPL (0.39) —
SCHEMBL23245014 0.81 LPL (0.37) KDM4E
SCHEMBL29695363 0.81 LPL (0.37) KDM4E
SCHEMBL29534512 0.81 LPL (0.37) —
SCHEMBL262387 0.81 LPL (0.37) —
SCHEMBL25383714 0.80 KDM4E (0.45) HRH1HTR7KDM4E
SCHEMBL30674664 0.80 PDK2 (0.40) HRH1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4039280-A1 TARGETED PYRROLOBENZODIAZEPINE CONJUGATES Seagen Inc. (US) 2022-08-10 — — EP disclosed
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