SCHEMBL14469583

SCHEMBL14469583

C=C(N)/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.53
▸ LSS P48449 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ HTT P42858 1/20 0.49
▸ TSHR P16473 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CNR1 P21554 2/20 0.46
▸ KMT2A Q03164 1/20 0.44
▸ F13A1 P00488 1/20 0.43
▸ TGM2 P21980 1/20 0.43
▸ TGM1 P22735 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 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
SCHEMBL14469366 0.91 CNR1 (0.58) POLBTSHRALDH1A1LMNACNR1
SCHEMBL14469581 0.91 ALDH1A1 (0.45) POLBNPC1TSHRALDH1A1LMNA
SCHEMBL14469582 0.90 CNR1 (0.47) POLBHTTCNR1SMN1; SMN2NPSR1
SCHEMBL14469235 0.89 CNR1 (0.45) POLBHTTALDH1A1CNR1KMT2A
SCHEMBL14469587 0.89 L3MBTL1 (0.53) TSHRALDH1A1CNR1F13A1TGM2
SCHEMBL14469184 0.88 POLB (0.57) POLBLSSNPC1HTTTSHR
SCHEMBL14469586 0.88 CNR1 (0.41) POLBLSSTSHRALDH1A1LMNA
SCHEMBL14469197 0.87 CNR1 (0.44) POLBLSSNPC1HTTTSHR
SCHEMBL14469240 0.87 CNR1 (0.58) POLBLMNACNR1KMT2AGAA
SCHEMBL14469592 0.87 LSS (0.42) POLBLSSHTTTSHRALDH1A1

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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