SCHEMBL10568293

SCHEMBL10568293

OC(c1ccccc1)(c1ccccc1)C1CCN(CCNc2ncccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 6/20 0.53
▸ KCNH2 Q12809 4/20 0.53
▸ HTT P42858 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MEN1 O00255 1/20 0.50

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
SCHEMBL10482576 0.88 HRH1 (0.51) HRH1KCNH2HTTRECQLNPSR1
SCHEMBL10479170 0.84 KCNH2 (0.47) HRH1KCNH2HTTRECQLNPSR1
SCHEMBL10568072 0.80 HRH1 (0.62) HRH1KCNH2
SCHEMBL10479193 0.80 NPC1 (0.51) HRH1KCNH2HTTRECQLNPSR1
SCHEMBL3317162 0.78 HRH1 (0.48) HRH1KCNH2
SCHEMBL10568040 0.77 HRH1 (0.56) HRH1KCNH2MEN1
SCHEMBL16291199 0.76 KCNH2 (0.67) HRH1KCNH2HTTNPSR1MEN1
SCHEMBL55533 0.76 HRH1 (0.67) HRH1KCNH2
SCHEMBL10479209 0.76 HRH1 (0.63) HRH1KCNH2
SCHEMBL9786914 0.74 HRH1 (0.66) HRH1KCNH2MEN1

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
US-4853387-A Piperidine derivatives, and their application in therapy SYNTHELABO (FR) 1989-08-01 — — US disclosed
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