SCHEMBL14469256

SCHEMBL14469256

C=C(N)/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccc(F)cc3S(=O)(=O)N(C)c3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MTNR1B P49286 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ RORC P51449 1/20 0.33
▸ SLC2A2 P11168 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ACHE P22303 1/20 0.32

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
SCHEMBL14469633 0.90 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2MEN1ALOX15
SCHEMBL14469299 0.87 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2MEN1ALOX15
SCHEMBL14469187 0.83 MEN1 (0.43) ALDH1A1KDM4ESMN1; SMN2MEN1ALOX15
SCHEMBL14469186 0.82 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1ALOX15
SCHEMBL14469170 0.81 KDM4E (0.48) ALDH1A1KDM4ESMN1; SMN2MEN1ALOX15
SCHEMBL14469298 0.80 MEN1 (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1ALOX15
SCHEMBL14469292 0.79 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2MEN1ALOX15
SCHEMBL14456937 0.78 KCNH2 (0.51) KCNH2
SCHEMBL14469294 0.78 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1TSHRMAPK1
SCHEMBL14469577 0.77 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2MEN1ALOX15

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
WO-2007075555-A2 COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT SCHERING CORPORATION (US) 2007-07-05 — — WO disclosed
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