SCHEMBL4956719

SCHEMBL4956719

[Li]C(CCC)c1ccccc1N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 5/20 0.44
▸ GAA P10253 3/20 0.44
▸ KEAP1 Q14145 1/20 0.43
▸ MAPK1 P28482 3/20 0.42
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ ABCC3 O15438 1/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ ADRA1A P35348 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
SCHEMBL3729747 1.00 KCNQ2 (0.44) KCNQ2GAAKEAP1MAPK1CYP1A2
SCHEMBL28309576 0.84 MEN1 (0.45) KCNQ2GAAKEAP1MAPK1CYP1A2
SCHEMBL7889064 0.84 KCNQ2 (0.47) KCNQ2GAAKEAP1MAPK1CYP1A2
SCHEMBL2339105 0.83 KEAP1 (0.46) KCNQ2GAAKEAP1MAPK1CYP1A2
SCHEMBL5792889 0.83 KEAP1 (0.46) KCNQ2GAAKEAP1MAPK1CYP1A2
SCHEMBL7897470 0.83 KEAP1 (0.46) KCNQ2GAAKEAP1MAPK1CYP1A2
SCHEMBL22276693 0.83 KCNQ2 (0.43) KCNQ2GAAKEAP1MAPK1CYP1A2
Hydrochloric Acid SCHEMBL10638555 0.81 KEAP1 (0.45) KCNQ2GAAKEAP1MAPK1CYP1A2
SCHEMBL7896588 0.81 KCNQ2 (0.44) KCNQ2GAAKEAP1MAPK1CYP1A2
SCHEMBL28304115 0.80 KCNQ2 (0.44) KCNQ2GAAKEAP1MAPK1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161519-A1 Catalyst System for Synthesizing Amine Functionalized Rubbery Polymers THE GOODYEAR TIRE & RUBBER COMPANY 2008-07-03 — — US claimed
EP-1939224-A1 Catalyst system for synthesizing amine functionalized rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2008-07-02 — — EP claimed
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