SCHEMBL10558087

SCHEMBL10558087

CSc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.60
▸ MEN1 O00255 5/20 0.57
▸ PAX8 Q06710 1/20 0.54
▸ KMT2A Q03164 2/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.50
▸ HTR1A P08908 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ DRD1 P21728 1/20 0.48
▸ DRD5 P21918 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ DRD3 P35462 1/20 0.48

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
SCHEMBL10461861 0.91 KCNH2 (0.70) KCNH2MEN1PAX8KMT2AHRH3
SCHEMBL10460591 0.90 KCNH2 (0.58) KCNH2MEN1PAX8KMT2AHRH3
SCHEMBL10461340 0.88 KCNH2 (0.64) KCNH2MEN1PAX8KMT2AHRH3
SCHEMBL10460724 0.88 KCNH2 (0.64) KCNH2MEN1PAX8KMT2AHRH3
SCHEMBL10459164 0.88 KCNH2 (0.64) KCNH2MEN1PAX8KMT2AHRH3
SCHEMBL10460419 0.88 KCNH2 (0.64) KCNH2MEN1PAX8KMT2AHRH3
SCHEMBL10461657 0.86 KCNH2 (0.61) KCNH2MEN1PAX8KMT2AHRH3
SCHEMBL10722742 0.86 KCNH2 (0.61) KCNH2MEN1PAX8KMT2AHRH3
SCHEMBL10460508 0.86 KCNH2 (0.64) KCNH2MEN1PAX8KMT2AHRH3
SCHEMBL10461280 0.86 HTR1A (0.66) KCNH2MEN1PAX8KMT2AHRH3

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
US-4810713-A Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl groups used in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 — — US claimed
EP-0235463-A2 N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-09-09 — — EP claimed
US-4810713-A Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl groups used in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 — — US disclosed
EP-0235463-A2 N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-09-09 — — EP disclosed
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