SCHEMBL14469573

SCHEMBL14469573

C=C(N)/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3c(F)ccc(F)c3F)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL14469365 0.89 KDM4E (0.48) KDM4ETSHRALDH1A1TDP1MEN1
SCHEMBL14469563 0.86 KDM4E (0.37) MTNR1BKDM4ETSHRALDH1A1TDP1
SCHEMBL14469170 0.85 KDM4E (0.48) MTNR1BKDM4ETSHRALDH1A1MEN1
SCHEMBL14469186 0.85 ALDH1A1 (0.47) MTNR1BKDM4ETSHRALDH1A1TDP1
SCHEMBL14469187 0.81 MEN1 (0.43) MTNR1BKDM4ETSHRALDH1A1TDP1
SCHEMBL14469188 0.81 ALDH1A1 (0.46) KDM4ETSHRALDH1A1MEN1KMT2A
SCHEMBL14469298 0.80 MEN1 (0.47) KDM4ETSHRALDH1A1MEN1KMT2A
SCHEMBL14469171 0.79 SMN1; SMN2 (0.38) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14469294 0.78 ALDH1A1 (0.39) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14469177 0.78 MEN1 (0.44) MTNR1BKDM4ETSHRALDH1A1TDP1

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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