SCHEMBL14469563

SCHEMBL14469563

C=C(N)/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3c(F)cccc3[N+](=O)O)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ EED O75530 1/20 0.34
▸ MTNR1B P49286 1/20 0.33

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) KDM4ESMN1; SMN2TSHRPOLBALDH1A1
SCHEMBL14469573 0.86 MTNR1B (0.39) KDM4ESMN1; SMN2TSHRPOLBALDH1A1
SCHEMBL14469576 0.81 KDM4E (0.40) KDM4ESMN1; SMN2TSHRPOLBALDH1A1
SCHEMBL14469577 0.81 KDM4E (0.43) KDM4ESMN1; SMN2TSHRALDH1A1ALOX15
SCHEMBL14469186 0.80 ALDH1A1 (0.47) KDM4ESMN1; SMN2TSHRALDH1A1TDP1
SCHEMBL14469170 0.78 KDM4E (0.48) KDM4ESMN1; SMN2TSHRALDH1A1ALOX15
SCHEMBL14469188 0.78 ALDH1A1 (0.46) KDM4ESMN1; SMN2TSHRPOLBALDH1A1
SCHEMBL14469294 0.77 ALDH1A1 (0.39) SMN1; SMN2TSHRPOLBALDH1A1NPC1
SCHEMBL14469187 0.76 MEN1 (0.43) KDM4ESMN1; SMN2TSHRPOLBALDH1A1
SCHEMBL14469177 0.75 MEN1 (0.44) KDM4ESMN1; SMN2TSHRALDH1A1TDP1

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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