SCHEMBL27711829

SCHEMBL27711829

[CH2]C(O)(c1ccccc1)C1CCN(CC)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 5/20 0.48
▸ KCNH2 Q12809 2/20 0.46
▸ HTT P42858 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL14020878 0.84 HRH1 (0.65) HRH1KCNH2HTTRECQLNPSR1
SCHEMBL1385530 0.74 KEAP1 (0.55) HRH1KCNH2NPSR1
SCHEMBL55533 0.72 HRH1 (0.67) HRH1KCNH2
SCHEMBL14232133 0.72 HRH1 (0.42) HRH1KCNH2HTTNPSR1
SCHEMBL14029031 0.72 KCNA3 (0.46) HRH1
SCHEMBL2619541 0.72 KCNH2 (0.45) HRH1KCNH2HTTRECQLNPSR1
SCHEMBL14125429 0.72 KCNH2 (0.45) HRH1KCNH2HTTRECQLNPSR1
SCHEMBL2619538 0.72 KCNA3 (0.46) HRH1
SCHEMBL14125383 0.72 KCNA3 (0.46) HRH1
Bromide SCHEMBL14892044 0.71 KCNH2 (0.44) HRH1KCNH2HTTRECQLNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101081846-A Quinazoline derivative and preparation method and usage thereof WUWEI MEDICINE TECHNOLOGY SHAN (CN) 2007-12-05 — — CN claimed
CN-101081846-A Quinazoline derivative and preparation method and usage thereof WUWEI MEDICINE TECHNOLOGY SHAN (CN) 2007-12-05 — — CN disclosed
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