SCHEMBL14469461

SCHEMBL14469461

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ FAAH O00519 2/20 0.45
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ MGLL Q99685 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL14469569 0.88 ALDH1A1 (0.47) FAAHMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL14469560 0.87 ALDH1A1 (0.47) ACHEMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL14469451 0.87 TSHR (0.46) FAAHMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL14469473 0.86 KMT2A (0.43) MEN1KMT2ASMN1; SMN2TSHRALOX15
SCHEMBL14469552 0.85 ALDH1A1 (0.49) MEN1KMT2AOPRM1OPRL1SMN1; SMN2
SCHEMBL14469570 0.85 CYP2D6 (0.52) ACHEMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL14469477 0.85 KMT2A (0.58) MEN1KMT2ASMN1; SMN2TSHRALOX15
SCHEMBL14469551 0.85 KDM4E (0.48) MEN1KMT2ASMN1; SMN2ALOX15KDM4E
SCHEMBL14469457 0.83 FAAH (0.49) FAAHMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL14469466 0.82 MEN1 (0.39) 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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