SCHEMBL21757528

SCHEMBL21757528

O=CNc1ccc(OCCCCN2CCCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 17/20 0.62
▸ ATM Q13315 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ HRH2 P25021 1/20 0.59
▸ KCNH2 Q12809 2/20 0.58
▸ MEN1 O00255 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ HRH4 Q9H3N8 1/20 0.57

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
SCHEMBL7353127 0.90 LTA4H (0.58) HRH3KCNH2
SCHEMBL21757629 0.86 HRH3 (0.58) HRH3HRH2KCNH2MEN1LMNA
SCHEMBL21757618 0.85 KDM4E (0.59) HRH3HRH2KCNH2MEN1LMNA
SCHEMBL21757567 0.82 HRH3 (0.63) HRH3HRH2KCNH2LMNA
SCHEMBL30411052 0.81 HRH3 (0.68) HRH3ATML3MBTL1KCNH2MEN1
SCHEMBL30410433 0.80 HRH3 (0.67) HRH3ATML3MBTL1KCNH2MEN1
SCHEMBL30409879 0.80 HRH3 (0.67) HRH3ATML3MBTL1KCNH2MEN1
SCHEMBL30409990 0.80 HRH3 (0.65) HRH3ATML3MBTL1KCNH2MEN1
SCHEMBL30410512 0.78 MEN1 (0.66) HRH3ATML3MBTL1KCNH2MEN1
SCHEMBL30409967 0.78 MEN1 (0.66) HRH3ATML3MBTL1KCNH2MEN1

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-3215509-B1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC (US) 2020-02-26 — — EP disclosed
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