SCHEMBL14469184

SCHEMBL14469184

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.57
▸ LSS P48449 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KMT2A Q03164 1/20 0.47
▸ F13A1 P00488 3/20 0.46
▸ TGM2 P21980 3/20 0.46
▸ TGM1 P22735 3/20 0.46
▸ CNR1 P21554 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL14469583 0.88 POLB (0.53) POLBLSSNPC1ALDH1A1LMNA
SCHEMBL14469477 0.84 KMT2A (0.58) POLBALDH1A1LMNATSHRKMT2A
SCHEMBL14469556 0.82 ALDH1A1 (0.47) POLBNPC1ALDH1A1HTTTSHR
SCHEMBL14469569 0.82 ALDH1A1 (0.47) POLBNPC1ALDH1A1TSHRKMT2A
SCHEMBL14469465 0.82 ALDH1A1 (0.49) POLBALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL14469460 0.81 KMT2A (0.51) POLBALDH1A1HTTTSHRKMT2A
SCHEMBL14469195 0.81 CHRM1 (0.53) CNR1
SCHEMBL14469194 0.81 ALDH1A1 (0.38) POLBALDH1A1LMNAHTTTSHR
SCHEMBL14469473 0.80 KMT2A (0.43) POLBALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL14469451 0.79 TSHR (0.46) ALDH1A1LMNATSHRKMT2ASMN1; 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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