SCHEMBL10459137

SCHEMBL10459137

NC(=O)c1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.59
▸ MEN1 O00255 3/20 0.56
▸ PAX8 Q06710 1/20 0.55
▸ HRH3 Q9Y5N1 1/20 0.54
▸ CYP2J2 P51589 1/20 0.51
▸ HRH2 P25021 1/20 0.50
▸ HRH1 P35367 1/20 0.50
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL10558799 0.91 KCNH2 (0.63) KCNH2MEN1PAX8CYP2J2HRH1
SCHEMBL10461861 0.90 KCNH2 (0.70) KCNH2MEN1PAX8HRH3KMT2A
SCHEMBL10463320 0.90 KCNH2 (0.59) KCNH2MEN1PAX8HRH3CYP2J2
Hydrochloric Acid SCHEMBL10566177 0.89 KCNH2 (0.61) KCNH2MEN1PAX8CYP2J2HRH1
SCHEMBL10460482 0.88 KCNH2 (0.57) KCNH2MEN1PAX8HRH3CYP2J2
SCHEMBL10461054 0.88 KCNH2 (0.57) KCNH2MEN1PAX8HRH3CYP2J2
SCHEMBL10462896 0.88 HRH1 (0.61) KCNH2MEN1PAX8CYP2J2HRH2
SCHEMBL10460508 0.87 KCNH2 (0.64) KCNH2MEN1PAX8HRH3KMT2A
Oxalic Acid SCHEMBL10460487 0.87 KCNH2 (0.61) KCNH2MEN1PAX8HRH3KMT2A
SCHEMBL10460337 0.86 KCNH2 (0.58) KCNH2MEN1PAX8HRH3CYP2J2

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 5 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-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 — — US disclosed
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
Send feedback