SCHEMBL10557243

SCHEMBL10557243

COc1cc(C(C)=O)ccc1OCCCN1CCC(C(c2ccccc2)C2CCCCC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 1/20 0.58
ABCB11 O95342 1/20 0.53
CHRM2 P08172 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD2 P14416 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
DRD1 P21728 1/20 0.53
DRD4 P21917 1/20 0.53
ACHE P22303 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
SLC6A4 P31645 1/20 0.53
CCKBR P32239 1/20 0.53

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
Oxalic Acid SCHEMBL10557099 0.97 ALDH1A1 (0.60) KDM4EMEN1ALDH1A1KMT2AABCB11
SCHEMBL10461124 0.91 ABCB11 (0.59) KDM4EMEN1ALDH1A1KMT2AABCB11
SCHEMBL10556085 0.89 ALDH1A1 (0.62) KDM4EMEN1ALDH1A1KMT2AABCB11
Oxalic Acid SCHEMBL10558729 0.87 MEN1 (0.65) KDM4EMEN1ALDH1A1KMT2AABCB11
SCHEMBL7436796 0.84 KCNH2 (0.50) KDM4EMEN1ALDH1A1KMT2AABCB11
SCHEMBL10556891 0.84 ABCB11 (0.57) KDM4EMEN1ALDH1A1KMT2AABCB11
SCHEMBL9032340 0.83 KDM4E (0.60) KDM4EMEN1ALDH1A1KMT2AABCB11
SCHEMBL10557712 0.83 MEN1 (0.49) KDM4EMEN1ALDH1A1KMT2AABCB11
Oxalic Acid SCHEMBL10459168 0.82 ALDH1A1 (0.59) KDM4EMEN1ALDH1A1KMT2AABCB11
SCHEMBL10557326 0.81 MEN1 (0.57) KDM4EMEN1ALDH1A1KMT2AABCB11

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
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