SCHEMBL14469466

SCHEMBL14469466

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccccc3OCCO)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ TP53 P04637 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
SCHEMBL14469551 0.89 KDM4E (0.48) MEN1KMT2ARAB9ASMN1; SMN2ALOX15
SCHEMBL14469114 0.88 RAB9A (0.41) MEN1KMT2AMAPTRAB9AEPHX2
SCHEMBL14469554 0.88 SMN1; SMN2 (0.40) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL14469569 0.85 ALDH1A1 (0.47) MEN1KMT2ARAB9ASMN1; SMN2TSHR
SCHEMBL14469452 0.84 SMN1; SMN2 (0.47) MEN1KMT2ARAB9ASMN1; SMN2TSHR
SCHEMBL14469451 0.84 TSHR (0.46) MEN1KMT2ARAB9ASMN1; SMN2TSHR
SCHEMBL14469560 0.84 ALDH1A1 (0.47) MEN1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL14469463 0.83 KDM4E (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL14469473 0.83 KMT2A (0.43) MEN1KMT2ASMN1; SMN2TSHRALOX15
SCHEMBL14469461 0.82 HDAC1 (0.46) MEN1KMT2ASMN1; SMN2TSHRALOX15

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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