SCHEMBL14469298

SCHEMBL14469298

C=C(N)/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ EPHX2 P34913 5/20 0.46
▸ ADRB2 P07550 1/20 0.42

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
SCHEMBL14469187 0.91 MEN1 (0.43) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL14469170 0.90 KDM4E (0.48) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL14469188 0.90 ALDH1A1 (0.46) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL14469577 0.89 KDM4E (0.43) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL14469292 0.87 ALDH1A1 (0.44) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL14469186 0.85 ALDH1A1 (0.47) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL14469365 0.82 KDM4E (0.48) MEN1ALOX15TSHRKMT2ASMN1; SMN2
SCHEMBL14469366 0.81 CNR1 (0.58) TSHRALDH1A1
SCHEMBL14469573 0.80 MTNR1B (0.39) MEN1TSHRKMT2ASMN1; SMN2KDM4E
SCHEMBL14469582 0.80 CNR1 (0.47) SMN1; SMN2

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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