SCHEMBL14469592

SCHEMBL14469592

C=C(N)/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccn3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 2/20 0.42
▸ HSD17B10 Q99714 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ HTT P42858 2/20 0.38
▸ F13A1 P00488 1/20 0.38
▸ TGM2 P21980 1/20 0.38
▸ TGM1 P22735 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CNR1 P21554 1/20 0.37

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 0.87 POLB (0.53) LSSTSHRLMNAUSP2POLB
SCHEMBL14469585 0.85 LSS (0.36) LSSHSD17B10KDM4ECYP1A2CYP3A4
SCHEMBL14469235 0.85 CNR1 (0.45) POLBHTTGAAKMT2ACNR1
SCHEMBL14469586 0.84 CNR1 (0.41) LSSKDM4ETSHRLMNAMAPK1
SCHEMBL14469192 0.82 MEN1 (0.59) TSHRLMNAPOLBHTTMEN1
SCHEMBL14469581 0.82 ALDH1A1 (0.45) TSHRLMNAPOLBF13A1TGM2
SCHEMBL14469366 0.82 CNR1 (0.58) TSHRLMNAPOLBF13A1TGM2
SCHEMBL14469580 0.81 L3MBTL1 (0.41) TSHRGAAMAPTCNR1ALDH1A1
SCHEMBL14469582 0.81 CNR1 (0.47) POLBHTTCNR1SMN1; SMN2
SCHEMBL14469200 0.80 POLB (0.46) HSD17B10LMNAMAPK1POLBCNR1

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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