SCHEMBL14469586

SCHEMBL14469586

C=C(N)/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3S(C)(=O)=O)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.41
▸ ALDH1A1 P00352 7/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ LSS P48449 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL14469235 0.91 CNR1 (0.45) CNR1ALDH1A1ATMPOLBKMT2A
SCHEMBL14469581 0.88 ALDH1A1 (0.45) CNR1ALDH1A1L3MBTL1POLBLMNA
SCHEMBL14469200 0.88 POLB (0.46) CNR1ALDH1A1ATMPOLBLMNA
SCHEMBL14469583 0.88 POLB (0.53) CNR1ALDH1A1L3MBTL1POLBLMNA
SCHEMBL14469193 0.85 POLB (0.43) CNR1ALDH1A1ATMPOLBLMNA
SCHEMBL14469592 0.84 LSS (0.42) CNR1ALDH1A1POLBLMNATSHR
SCHEMBL14469580 0.83 L3MBTL1 (0.41) CNR1ALDH1A1L3MBTL1TSHRGAA
SCHEMBL14469366 0.82 CNR1 (0.58) CNR1ALDH1A1L3MBTL1POLBLMNA
SCHEMBL14469582 0.81 CNR1 (0.47) CNR1POLB
SCHEMBL14469197 0.81 CNR1 (0.44) CNR1ALDH1A1POLBLMNATSHR

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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