SCHEMBL14469200

SCHEMBL14469200

C=C(N)/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38
▸ CYP19A1 P11511 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
SCHEMBL14469586 0.88 CNR1 (0.41) POLBALDH1A1LMNAMAPK1CNR1
SCHEMBL14469235 0.88 CNR1 (0.45) POLBALDH1A1CNR1ATM
SCHEMBL14469583 0.84 POLB (0.53) POLBALDH1A1LMNAPKMCNR1
SCHEMBL14469193 0.82 POLB (0.43) POLBALDH1A1LMNAMAPK1CNR1
SCHEMBL14469581 0.81 ALDH1A1 (0.45) POLBALDH1A1LMNAPKMCNR1
SCHEMBL14469592 0.80 LSS (0.42) POLBALDH1A1LMNAHSD17B10MAPK1
SCHEMBL14469580 0.80 L3MBTL1 (0.41) ALDH1A1CNR1
SCHEMBL14469366 0.79 CNR1 (0.58) POLBALDH1A1LMNAPKMCNR1
SCHEMBL14469582 0.78 CNR1 (0.47) POLBCNR1
SCHEMBL14469197 0.78 CNR1 (0.44) POLBALDH1A1LMNACNR1

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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