SCHEMBL14469296

SCHEMBL14469296

C=C(N)/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3c(-c4c(Cl)cccc4Cl)noc3C)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ GAA P10253 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NR1H4 Q96RI1 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL14469171 0.86 SMN1; SMN2 (0.38) KMT2AMEN1GAALMNASMN1; SMN2
SCHEMBL14469365 0.82 KDM4E (0.48) KMT2AMEN1TDP1GAALMNA
SCHEMBL14469294 0.80 ALDH1A1 (0.39) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL14469188 0.80 ALDH1A1 (0.46) KMT2AMEN1SMN1; SMN2TSHRALDH1A1
SCHEMBL14469299 0.77 ALDH1A1 (0.36) KMT2AMEN1GAALMNASMN1; SMN2
SCHEMBL14469298 0.76 MEN1 (0.47) KMT2AMEN1SMN1; SMN2TSHRALDH1A1
SCHEMBL14456936 0.76 MEN1 (0.47) KMT2AMEN1TDP1GAALMNA
SCHEMBL14469573 0.76 MTNR1B (0.39) KMT2AMEN1TDP1SMN1; SMN2TSHR
SCHEMBL14469187 0.75 MEN1 (0.43) KMT2AMEN1TDP1SMN1; SMN2TSHR
SCHEMBL14469364 0.75 CYP2C19 (0.46) KMT2ALMNASMN1; SMN2TSHRALDH1A1

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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