SCHEMBL10462896

SCHEMBL10462896

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 2/20 0.61
▸ PAX8 Q06710 1/20 0.58
▸ KCNH2 Q12809 1/20 0.57
▸ MEN1 O00255 2/20 0.54
▸ CYP2J2 P51589 1/20 0.54
▸ HTR2A P28223 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HRH2 P25021 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
SCHEMBL10461574 0.97 HRH1 (0.62) HRH1PAX8KCNH2MEN1CYP2J2
Fumaric Acid SCHEMBL10460906 0.94 HRH1 (0.58) HRH1PAX8KCNH2MEN1CYP2J2
Fumaric Acid SCHEMBL10460907 0.94 HRH1 (0.58) HRH1PAX8KCNH2MEN1CYP2J2
Fumaric Acid SCHEMBL10461767 0.92 HRH1 (0.59) HRH1PAX8KCNH2MEN1CYP2J2
Fumaric Acid SCHEMBL10461769 0.92 HRH1 (0.59) HRH1PAX8KCNH2MEN1CYP2J2
SCHEMBL10460337 0.90 KCNH2 (0.58) HRH1PAX8KCNH2MEN1CYP2J2
SCHEMBL10460523 0.90 HRH1 (0.74) HRH1PAX8KCNH2MEN1CYP2J2
SCHEMBL10463320 0.90 KCNH2 (0.59) HRH1PAX8KCNH2MEN1CYP2J2
Hydrochloric Acid SCHEMBL10557968 0.89 KCNH2 (0.57) HRH1PAX8KCNH2MEN1CYP2J2
SCHEMBL10558799 0.89 KCNH2 (0.63) HRH1PAX8KCNH2MEN1CYP2J2

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-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 claimed
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